SCHEMBL6159720

SCHEMBL6159720

CNc1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
NTRK1 P04629 12/20 0.44
NTRK2 Q16620 10/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6159112 0.85 NPC1 (0.41) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL6634682 0.85 LMNA (0.53) NTRK1NTRK2RAB9ASMN1; SMN2BRD4
SCHEMBL6157976 0.83 NPC1 (0.59) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL6158462 0.82 NTRK1 (0.52) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL7113060 0.82 RAB9A (0.48) ITKNTRK1NTRK2NPC1RAB9A
SCHEMBL6982827 0.82 ALDH1A1 (0.53) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL6637025 0.81 PAX8 (0.64) RAB9ASMN1; SMN2BRD4ALDH1A1TP53
SCHEMBL6159451 0.80 NPC1 (0.42) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL6486632 0.79 F2 (0.50) ITKNTRK1NTRK2NPC1RAB9A
SCHEMBL6475543 0.79 KDM4E (0.48) ITKNTRK1NTRK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237877-B1 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 EP disclosed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US disclosed
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP disclosed
WO-2002062785-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 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 (1 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 ITK 1616/4885NTRK1 2967/4885NTRK2 2267/4885

“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.