SCHEMBL10138530

SCHEMBL10138530

NC(=O)c1ccc2cncc(-c3ccc(OCCCS(=O)(=O)N4CCOCC4)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
CHUK O15111 2/20 0.40
INSR P06213 2/20 0.40
MAPK8 P45983 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
HRH3 Q9Y5N1 5/20 0.38
CHEK2 O96017 5/20 0.38
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
AR P10275 1/20 0.36

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
SCHEMBL10138517 0.84 CCNC (0.47) ALDH1A1HRH3CCNCCDK8
SCHEMBL578534 0.80 CHEK2 (0.54) SLC22A12CHEK2CCNCCDK8AR
SCHEMBL10138549 0.79 SLC22A12 (0.58) SLC22A12CHEK2CCNCCDK8
SCHEMBL578566 0.79 SLC22A12 (0.41) SLC22A12CHEK2CCNCCDK8
SCHEMBL10138292 0.77 ACVR1 (0.52) SLC22A12CHEK2CCNCCDK8
SCHEMBL10138305 0.76 CHEK2 (0.60) SLC22A12CHEK2CCNCCDK8
SCHEMBL578814 0.76 CHEK2 (0.49) SLC22A12CHEK2CCNCCDK8
SCHEMBL10138550 0.75 MAPT (0.51) SLC22A12CHEK2CCNCCDK8
SCHEMBL10128527 0.74 MAPT (0.49) SLC22A12CCNCCDK8
SCHEMBL12115120 0.74 CDK8 (0.38) ALDH1A1HRH3CHEK2CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 ALDH1A1 2092/4885SLC22A12 1300/4885CHUK 201/4885

“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.