SCHEMBL1155698

SCHEMBL1155698

Cc1nnc2c(Br)cccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.33
GSK3B P49841 1/20 0.33
HSD11B1 P28845 2/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
USP7 Q93009 1/20 0.32
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10179020 0.81 NR1I2 (0.46) TSHRMAPK1HSD17B10ALDH1A1HSD11B1
SCHEMBL11853002 0.78 TSHR (0.40) TSHRMAPK1HSD17B10ALDH1A1RXFP1
SCHEMBL11277685 0.78 ALDH1A1 (0.39) TSHRMAPK1HSD17B10ALDH1A1RXFP1
SCHEMBL19292971 0.78 RXFP1 (0.36) TSHRMAPK1HSD17B10ALDH1A1RXFP1
Hydrochloric Acid SCHEMBL23005306 0.76 HSD17B10 (0.33) TSHRMAPK1HSD17B10ALDH1A1RXFP1
SCHEMBL20780611 0.75 HSD11B1 (0.33) HSD17B10ALDH1A1HSD11B1NR1I2AHR
SCHEMBL13687332 0.75 TP53 (0.45) TSHRALDH1A1KDM4ENPC1MAPT
SCHEMBL12877259 0.75 HSD11B1 (0.49) TSHRMAPK1HSD17B10ALDH1A1RXFP1
SCHEMBL11914749 0.75 NR1I2 (0.34) HSD11B1NR1I2AHR
SCHEMBL21067213 0.73 ALDH1A1 (0.39) TSHRMAPK1HSD17B10ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11629145-B2 SHP2 phosphatase inhibitors and methods of use thereof D. E. SHAW RESEARCH, LLC (US) 2023-04-18 US disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
WO-2012010862-A3 IMPROVED COMBUSTIBLE COMPOSITION RECKITT BENCKISER SOUTH AFRICA (PTY) LIMITED (ZA) 2012-05-10 WO disclosed
EP-2276756-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-11-30 EP disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TSHR 351/4885MAPK1 3471/4885HSD17B10 1070/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TSHR 351/4885MAPK1 3471/4885HSD17B10 1070/4885
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TSHR 45/4885MAPK1 1274/4885HSD17B10 2212/4885
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 TSHR 40/4885MAPK1 1669/4885HSD17B10 654/4885
US-11629145-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC TSHR 3514/4885MAPK1 774/4885HSD17B10 1734/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 TSHR 2314/4885MAPK1 304/4885HSD17B10 1994/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TSHR 346/4885MAPK1 2814/4885HSD17B10 1355/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR TSHR 55/4885MAPK1 1157/4885HSD17B10 1229/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TSHR 45/4885MAPK1 1274/4885HSD17B10 2212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.