SCHEMBL2597875

SCHEMBL2597875

O=C(O)NCCC(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
TSHR P16473 3/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.50
FKBP1A P62942 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.45
STAT3 P40763 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13645749 0.84 GLA (0.54) POLBTSHRGLALMNAALDH1A1
SCHEMBL2681365 0.82 ATM (0.56) LMNAALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4326749 0.82 ATM (0.50) LMNAALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2836486 0.81 ATM (0.54) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL13853557 0.81 GLA (0.51) POLBTSHRGLALMNAALDH1A1
SCHEMBL7442198 0.80 TAAR1 (0.51) POLBTSHRGLALMNAALDH1A1
SCHEMBL16252568 0.80 TSHR (0.50) POLBTSHRGLALMNAALDH1A1
SCHEMBL17028378 0.79 HTT (0.62) TSHRLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7385455 0.79 GLA (0.57) POLBTSHRGLALMNAALDH1A1
SCHEMBL23142621 0.78 KDM4E (0.46) LMNAALDH1A1L3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF XUZHOU MEDICAL UNIVERSITY (CN) 2024-03-07 US disclosed
CN-107674073-B 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridine compounds as modulators of protein kinases 印蔻真治疗公司 2021-09-10 CN disclosed
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
EP-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP disclosed
EP-2571878-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES Incozen Therapeutics Pvt. Ltd. (IN) 2013-03-27 EP disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO 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 (3 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-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF AVPR1B, AVPR2, AVPR1A POLB 4142/4885TSHR 715/4885GLA 3407/4885
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 POLB 2836/4885TSHR 2504/4885GLA 4727/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 POLB 2836/4885TSHR 2504/4885GLA 4727/4885

“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.