SCHEMBL10128527

SCHEMBL10128527

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
JAK1 P23458 3/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
JAK2 O60674 2/20 0.43
CYP11B2 P19099 2/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL578942 0.90 CCNC (0.49) MAPTCCNCCDK8HTTSLC22A12
SCHEMBL10138292 0.83 ACVR1 (0.52) CCNCCDK8JAK1JAK2TYK2
SCHEMBL10127845 0.82 ICAM1 (0.50) CCNCCDK8
SCHEMBL10138309 0.79 SLC22A12 (0.53) CCNCCDK8PRKAA1LRRK2SLC22A12
SCHEMBL10138323 0.77 SLC22A12 (0.51) CCNCCDK8PRKAA1JAK3LRRK2
SCHEMBL10138327 0.77 CCNC (0.53) CCNCCDK8HDAC4HDAC6JAK1
SCHEMBL16211931 0.76 PHGDH (0.56) CCNCCDK8JAK2GRM2
SCHEMBL578517 0.75 CCNC (0.44) CCNCCDK8SLC22A12
SCHEMBL10138530 0.74 ALDH1A1 (0.42) CCNCCDK8SLC22A12
SCHEMBL578804 0.74 ACVR1 (0.54) CCNCCDK8PRKAB2PRKAG1PRKAA2

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
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
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 MAPT 4571/4885CCNC 1592/4885CDK8 2959/4885

“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.