SCHEMBL12984697

SCHEMBL12984697

CC(C)CCOc1nc(N)cnc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
MCHR1 Q99705 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
XDH P47989 4/20 0.38
TLR8 Q9NR97 1/20 0.37
USP8 P40818 1/20 0.35
CTSK P43235 1/20 0.35
CHEK1 O14757 5/20 0.34
CHEK2 O96017 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL5644362 0.79 TP53 (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL620504 0.77 USP8 (0.42) USP8KDM4E
SCHEMBL1396863 0.75 CHEK1 (0.57) CDK1CHEK1CHEK2KCNH2
SCHEMBL1397487 0.75 CHEK1 (0.57) CDK1CHEK1CHEK2KCNH2
SCHEMBL12984885 0.75 CHEK1 (0.57) CDK1CHEK1CHEK2KCNH2
SCHEMBL5642222 0.74 CDK1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1397037 0.74 CHEK1 (0.45) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19361937 0.72 CHEK1 (0.43) CDK1CHEK1CHEK2KCNH2
SCHEMBL15142766 0.71 PIK3CD (0.40) USP8HTTKDM4EALDH1A1HSD17B10
SCHEMBL1396879 0.71 KDM4E (0.51) KDM4EALDH1A1LMNAHSD17B10

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 6 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
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
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 CDK1 6/4885CCNB1 15/4885CCNA2 66/4885

“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.