SCHEMBL3517783

SCHEMBL3517783

N#Cc1cnc(Nc2cc3cc[nH]c3cn2)cn1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.62
HDAC6 Q9UBN7 1/20 0.44
CHEK2 O96017 2/20 0.43
MAOB P27338 2/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 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
SCHEMBL3831376 0.82 IMPDH2 (0.52) CHEK1HDAC6MAOBIMPDH2IMPDH1
SCHEMBL30088200 0.82 IMPDH2 (0.52) CHEK1HDAC6MAOBIMPDH2IMPDH1
SCHEMBL12983898 0.77 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL12983585 0.75 HDAC6 (0.47) HDAC6MAOB
SCHEMBL12985397 0.75 HDAC6 (0.44) CHEK1HDAC6MAOB
SCHEMBL14059834 0.74 IMPDH2 (0.46) CHEK1IMPDH2IMPDH1
SCHEMBL31213264 0.74 IMPDH2 (0.46) CHEK1IMPDH2IMPDH1
SCHEMBL3517964 0.73 CHEK1 (0.80) CHEK1CHEK2
SCHEMBL1396878 0.72 CHEK1 (0.70) CHEK1CHEK2
SCHEMBL27260788 0.72 HDAC6 (0.59) CHEK1HDAC6CHEK2MAOB

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 9 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

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 1/4885HDAC6 638/4885CHEK2 2/4885

“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.