SCHEMBL5044753

SCHEMBL5044753

CC(C)(C)C(=O)Nc1ncccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 1/20 0.40
CETP P11597 1/20 0.39
TSHR P16473 1/20 0.39
ADORA1 P30542 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4821066 0.83 KDM4E (0.41) L3MBTL1ALDH1A1KDM4ESMN1; SMN2PDK1
SCHEMBL2601270 0.81 NPC1 (0.52) L3MBTL1ALDH1A1KDM4EPOLBNPC1
SCHEMBL2494002 0.81 RAB9A (0.59) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL374899 0.81 KMT2A (0.46) L3MBTL1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8613491 0.80 L3MBTL1 (0.53) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29431831 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL510235 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28729464 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL623831 0.80 METAP1 (0.46) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29476654 0.80 METAP1 (0.46) NPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066322-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-27 US disclosed
EP-4337650-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
CN-117279906-A Substituted heterocyclic compounds 百时美施贵宝公司 2023-12-22 CN disclosed
CN-114262293-B Preparation method of 2-amino-3-bromopyridine 上海有吉医药化工有限公司 2023-09-22 CN disclosed
WO-2022241173-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
CN-114262293-A Preparation method of 2-amino-3-bromopyridine 安徽有吉医药科技有限公司 2022-04-01 CN disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20060041144-A1 Phenylpyridine compound and fungicidal compostion containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-23 US disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
EP-1541557-A1 PHENYLPYRIDINE COMPOUND AND BACTERICIDAL COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2005-06-15 EP disclosed
EP-0963986-B1 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-04-17 EP disclosed
EP-0963986-A2 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-15 EP 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 (4 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 L3MBTL1 3557/4885ALDH1A1 317/4885CYP1A2 226/4885
US-20060041144-A1 Phenylpyridine compound and fungicidal compostion containing the same CBR3, CYP1A1, PAH L3MBTL1 222/4885ALDH1A1 2020/4885CYP1A2 20/4885
US-20250066322-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, STAT3, JAK2 L3MBTL1 4081/4885ALDH1A1 3387/4885CYP1A2 1584/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R L3MBTL1 2907/4885ALDH1A1 427/4885CYP1A2 136/4885

“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.