SCHEMBL15086017

SCHEMBL15086017

CCCn1cc(-c2ccnc(Nc3ccc(S(=O)(=O)NC)cc3)n2)c2nc(Cl)cc(C)c21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.43
CDK9 P50750 11/20 0.43
CDK2 P24941 8/20 0.41
CDK4 P11802 2/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
IKBKB O14920 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
SCHEMBL2538339 0.91 CCNT1 (0.49) CCNT1CDK9CDK2CDK4CDK1
SCHEMBL2541901 0.86 PLK1 (0.43) CCNT1CDK9CDK2CDK4CDK1
SCHEMBL2544634 0.85 IKBKB (0.55) CDK2CCNE1IKBKB
SCHEMBL2539825 0.84 CDK1 (0.53) CCNT1CDK9CDK2CDK1CCNB1
SCHEMBL2547332 0.81 JAK2 (0.53) CCNT1CDK9CDK2CDK4CDK1
SCHEMBL15085752 0.81 CDK2 (0.48) CCNT1CDK9CDK2CDK4CDK1
SCHEMBL2542192 0.80 PLK1 (0.48) CCNT1CDK9CDK2CDK4CDK1
SCHEMBL2539545 0.80 ACVR1 (0.49) CCNT1CDK9CDK2CDK4CDK1
SCHEMBL2542799 0.80 FLT3 (0.55) CDK9CDK2CDK4CDK1CCNB1
SCHEMBL2543307 0.79 CCNT1 (0.54) CCNT1CDK9CDK2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A CCNT1 2891/4885CDK9 825/4885CDK2 1553/4885

“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.