SCHEMBL3517964

SCHEMBL3517964

N#Cc1cnc(Nc2cc3[nH]cnc3cn2)cn1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.80
CHEK2 O96017 4/20 0.44
KCNH2 Q12809 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
SCHEMBL15270469 0.80 CHEK1 (0.56) CHEK1
SCHEMBL13027309 0.75 CHEK1 (0.46) CHEK1CHEK2
SCHEMBL12983991 0.74 CHEK1 (0.46) CHEK1CHEK2
SCHEMBL3517783 0.73 CHEK1 (0.62) CHEK1CHEK2
SCHEMBL1396991 0.73 CHEK1 (0.51) CHEK1CHEK2KCNH2
SCHEMBL3514292 0.72 CHEK1 (0.44) CHEK1
SCHEMBL12983868 0.72 CHEK1 (0.56) CHEK1CHEK2
SCHEMBL12983810 0.71 PKN1 (0.51) CHEK1CHEK2
SCHEMBL22533571 0.71 CHEK1 (0.67) CHEK1CHEK2
SCHEMBL12983884 0.71 CHEK1 (0.48) CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288601-B1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-10-15 EP disclosed
EP-2288601-B1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-10-15 EP disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 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 (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-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B CHEK1 1/4885CHEK2 2/4885KCNH2 4039/4885

“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.