SCHEMBL15085752

SCHEMBL15085752

Cc1cc(Cl)nc2c(-c3ccnc(Nc4ccc(S(C)(=O)=O)cc4)n3)cn(C)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.48
CDK9 P50750 5/20 0.48
CCNT1 O60563 4/20 0.48
CDK5 Q00535 4/20 0.48
CCNE1 P24864 3/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
CDK5R1 Q15078 3/20 0.48
GSK3B P49841 3/20 0.48
MAPK8 P45983 3/20 0.48
MAPK9 P45984 2/20 0.48
GSK3A P49840 2/20 0.48
CDK4 P11802 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CCND3 P30281 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CDK7 P50613 1/20 0.48

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 0.81 CCNT1 (0.49) CDK2CDK9CCNT1CDK5CCNE1
SCHEMBL15086017 0.81 CCNT1 (0.43) CDK2CDK9CCNT1CCNE1CDK1
SCHEMBL2544634 0.76 IKBKB (0.55) CDK2CCNE1IKBKBCHUK
SCHEMBL2541901 0.76 PLK1 (0.43) CDK2CDK9CCNT1CDK1CCNB1
SCHEMBL2539825 0.74 CDK1 (0.53) CDK2CDK9CCNT1CDK5CCNE1
SCHEMBL13440365 0.72 AURKA (0.67) CDK2CDK9CCNT1CDK5CCNE1
SCHEMBL2547332 0.71 JAK2 (0.53) CDK2CDK9CCNT1CDK5CCNE1
SCHEMBL2539545 0.70 ACVR1 (0.49) CDK2CDK9CCNT1CDK5CCNE1
SCHEMBL15085747 0.70 DYRK1A (0.41) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL2543307 0.70 CCNT1 (0.54) CDK2CDK9CCNT1CCNE1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
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 CDK2 1553/4885CDK9 825/4885CCNT1 2891/4885

“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.