SCHEMBL578942

SCHEMBL578942

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.49
CDK8 P49336 5/20 0.49
FKBP1A P62942 3/20 0.46
SLC22A12 Q96S37 2/20 0.44
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM2 Q14416 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDK1 P06493 1/20 0.40
KDR P35968 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 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
SCHEMBL10128527 0.90 MAPT (0.49) CCNCCDK8SLC22A12GRM2MAPT
SCHEMBL578517 0.84 CCNC (0.44) CCNCCDK8FKBP1ASLC22A12SMN1; SMN2
SCHEMBL10138292 0.81 ACVR1 (0.52) CCNCCDK8SLC22A12
SCHEMBL10138323 0.80 SLC22A12 (0.51) CCNCCDK8SLC22A12CDK1KDR
SCHEMBL10127845 0.79 ICAM1 (0.50) CCNCCDK8ALDH1A1SMN1; SMN2NPC1
SCHEMBL10138331 0.78 CCNC (0.51) CCNCCDK8SLC22A12
SCHEMBL10138309 0.78 SLC22A12 (0.53) CCNCCDK8SLC22A12CDK1KDR
SCHEMBL16211931 0.74 PHGDH (0.56) CCNCCDK8ALDH1A1GRM2SMN1; SMN2
SCHEMBL10138530 0.73 ALDH1A1 (0.42) CCNCCDK8SLC22A12ALDH1A1
SCHEMBL578804 0.73 ACVR1 (0.54) CCNCCDK8SLC22A12RAB9A

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-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
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-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
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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 CCNC 1592/4885CDK8 2959/4885FKBP1A 931/4885

“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.