SCHEMBL23005287

SCHEMBL23005287

FC(F)(F)c1nnc2c([Mg]Cl)cccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.35
KAT2B Q92831 1/20 0.33
SCN5A Q14524 8/20 0.33
ALDH1A1 P00352 3/20 0.32
NR3C2 P08235 1/20 0.31
LMNA P02545 2/20 0.30
PAX8 Q06710 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HPGD P15428 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1159935 0.76 CYP1A2 (0.55) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL3012332 0.75 CYP1A2 (0.54) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL25804507 0.75 CYP1A2 (0.57) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL23005307 0.75 RXFP1 (0.33) POLBKMT2AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL23005286 0.73 CYP1A2 (0.52) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL21222950 0.70 HSD11B1 (0.46)
SCHEMBL25229908 0.69 CYP1A2 (0.58) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL3132632 0.68 CYP1A2 (0.43) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL12145402 0.66 CYP1A2 (0.44) CYP1A2POLBCYP2C9KMT2AMEN1
SCHEMBL750920 0.65 KDM4E (0.50) CYP1A2POLBCYP2C9KMT2ASCN5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-111655700-A Benzyl-, (pyridin-3-yl) methyl-or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2020-09-11 CN 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 (2 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-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 CYP1A2 807/4885POLB 4591/4885CYP2C9 1056/4885
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 CYP1A2 1192/4885POLB 4636/4885CYP2C9 1355/4885

“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.