SCHEMBL578539

SCHEMBL578539

CCNC(=O)c1ccc2cncc(-c3ccc(C4(O)CCN(C(C)=O)CC4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.47
CDK8 P49336 5/20 0.47
CYP17A1 P05093 1/20 0.47
SLC22A12 Q96S37 2/20 0.39
CCR1 P32246 1/20 0.38
PDE2A O00408 1/20 0.37
IP6K1 Q92551 1/20 0.37
MAPK14 Q16539 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
NAMPT P43490 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MCHR1 Q99705 1/20 0.35
SOS1 Q07889 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL578478 0.86 CCNC (0.45) CCNCCDK8CYP17A1SLC22A12CYP11B1
SCHEMBL578346 0.83 CCNC (0.42) CCNCCDK8SLC22A12CYP11B1CYP11B2
SCHEMBL27885037 0.79 CYP11B2 (0.52) CCNCCDK8CYP11B1CYP11B2NAMPT
SCHEMBL10138555 0.77 CCNC (0.53) CCNCCDK8SLC22A12IP6K1MAPK14
SCHEMBL619234 0.72 MAP3K11 (0.41) CCNCCDK8MCHR1
SCHEMBL578804 0.69 ACVR1 (0.54) CCNCCDK8SLC22A12
SCHEMBL578334 0.69 ACVR1 (0.48) CCNCCDK8SLC22A12
SCHEMBL10138328 0.67 CCNC (0.46) CCNCCDK8SLC22A12CYP11B2
SCHEMBL16222216 0.66 CCNC (0.50) CCNCCDK8SLC22A12
SCHEMBL16212433 0.66 MAPK14 (0.52) CCNCCDK8SLC22A12MAPK14

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 3 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-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

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 2959/4885CYP17A1 618/4885

“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.