SCHEMBL10138435

SCHEMBL10138435

NC(=O)c1ccc2cncc(-c3ccc(OCCOC4CCC(C(=O)N5CCOCC5)CC4)c(F)c3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.41
CDK8 P49336 7/20 0.41
PIK3CD O00329 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
GRM2 Q14416 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL10138424 0.90 CCNC (0.41) CCNCCDK8CYP11B2ALOX5APFEN1
SCHEMBL10138449 0.88 CCNC (0.40) CCNCCDK8CYP11B2ALOX5APFEN1
SCHEMBL10138499 0.87 CCNC (0.43) CCNCCDK8GRM2
SCHEMBL10138447 0.86 CCNC (0.41) CCNCCDK8CYP11B2ALOX5APFEN1
SCHEMBL14823068 0.85 CCNC (0.41) CCNCCDK8PIK3CDCYP11B1CYP11B2
SCHEMBL10138450 0.84 CCNC (0.47) CCNCCDK8CYP11B1CYP11B2NPC1
SCHEMBL10138521 0.83 CCNC (0.41) CCNCCDK8PIK3CDGRM2
SCHEMBL14823067 0.82 CCNC (0.47) CCNCCDK8NPC1RAB9AJAK2
SCHEMBL10138476 0.82 CCNC (0.42) CCNCCDK8ALOX5APFEN1MAPK1
SCHEMBL10138528 0.81 CCNC (0.41) CCNCCDK8PIK3CDALOX5APFEN1

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 4 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

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 2959/4885PIK3CD 1925/4885

“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.