SCHEMBL7525328

SCHEMBL7525328

CC(C)n1cnc2c(C(N)c3cccc(Cl)c3)nc(F)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.43
CCNB1 P14635 4/20 0.43
CCNB2 O95067 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
EIF2AK2 P19525 1/20 0.43
GSK3B P49841 1/20 0.43
MERTK Q12866 1/20 0.43
HTT P42858 1/20 0.43
CDK5 Q00535 5/20 0.42
CDK5R1 Q15078 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
CDK4 P11802 2/20 0.42
CDK2 P24941 2/20 0.42
MEN1 O00255 1/20 0.42
PAK4 O96013 1/20 0.42
CCNE2 O96020 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3299538 0.81 CDK2 (0.45) CDK1CCNB1CDK5CDK5R1MAPK1
SCHEMBL3298664 0.80 CDK2 (0.44) CDK1CCNB1CDK5CDK5R1MAPK1
SCHEMBL4484465 0.76 CDK2 (0.43) CDK1CCNB1CDK5CDK5R1KDM4E
SCHEMBL5749121 0.74 CDK1 (0.70) CDK1CCNB1CCNB2CCNB3EIF2AK2
SCHEMBL7525338 0.73 HTT (0.67) CDK1CCNB1CCNB2CCNB3EIF2AK2
SCHEMBL3859248 0.72 CDK2 (0.58) CDK1CCNB1CDK5CDK5R1MAPK1
SCHEMBL3295975 0.72 CDK2 (0.66) CDK1CCNB1CCNB2CCNB3CDK5
SCHEMBL7525334 0.72 CDK1 (0.53) CDK1CCNB1CCNB2CCNB3EIF2AK2
SCHEMBL1293109 0.71 CDK2 (0.49) CDK1CCNB1CDK5CDK5R1KDM4E
SCHEMBL31707890 0.71 CDK2 (0.49) CDK1CCNB1CDK5CDK5R1KDM4E

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-20020103161-A1 Novel heterocycles ARIAD PHARMACEUTICALS, INC. 2002-08-01 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-20020103161-A1 Novel heterocycles BMP2, SOST, BMP4 CDK1 93/4885CCNB1 973/4885CCNB2 451/4885

“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.