SCHEMBL4159658

SCHEMBL4159658

[c]1noc(-c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA4 P43681 1/20 0.51
ALDH1A1 P00352 9/20 0.50
CYP2A6 P11509 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TP53 P04637 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 7/20 0.45
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL795461 0.78 NPC1 (0.44) ALDH1A1TP53SMN1; SMN2HSD17B10RAB9A
SCHEMBL3475309 0.76 TP53 (0.46) ALDH1A1CYP1A2TP53SMN1; SMN2HSD17B10
SCHEMBL2274986 0.70 NPC1 (0.76) ALDH1A1CYP2A6CYP1A2CYP3A4TP53
SCHEMBL120088 0.70 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2CYP3A4TP53
SCHEMBL30473120 0.70 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2CYP3A4TP53
SCHEMBL29419014 0.70 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2CYP3A4TP53
SCHEMBL5552349 0.69 RAB9A (0.50) ALDH1A1TP53SMN1; SMN2HSD17B10RAB9A
SCHEMBL5553581 0.69 NPC1 (0.50) TP53SMN1; SMN2RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL4929292 0.68 NPC1 (0.73) ALDH1A1CYP2A6CYP1A2CYP3A4TP53
SCHEMBL1422890 0.68 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174625-A1 PREPARATION METHOD OF NINTEDANIB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-06-22 US claimed
US-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-08-06 US claimed
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US claimed
US-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CAGE PETER 2009-01-08 US claimed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP claimed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US claimed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO claimed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP claimed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP claimed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US claimed
JP-2003528076-A 2003-09-24 JP claimed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP claimed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO claimed
US-20230159561-A1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC CORP (US) 2023-05-25 US disclosed
US-11578085-B2 Heterocycle-substituted bicyclic azole pesticides FMC CORPORATION (US) 2023-02-14 US disclosed
EP-4105209-A2 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC Corporation (US) 2022-12-21 EP disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 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 (7 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-20170174625-A1 PREPARATION METHOD OF NINTEDANIB ACVR2B, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NUDT1 CHRNB2 680/4885CHRNA5 634/4885CHRNA4 329/4885
US-20230159561-A1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES CYP4X1, DDT, CHRM1 CHRNB2 586/4885CHRNA5 239/4885CHRNA4 138/4885
US-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR4 CHRNB2 3225/4885CHRNA5 1117/4885CHRNA4 1640/4885
US-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 CHRNB2 4001/4885CHRNA5 1788/4885CHRNA4 2496/4885
US-11578085-B2 Heterocycle-substituted bicyclic azole pesticides CYP4X1, DDT, CHRM1 CHRNB2 586/4885CHRNA5 239/4885CHRNA4 138/4885
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 CHRNB2 4001/4885CHRNA5 1788/4885CHRNA4 2496/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 CHRNB2 365/4885CHRNA5 680/4885CHRNA4 580/4885

“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.