SCHEMBL15041583

SCHEMBL15041583

O=c1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C1CSc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.53
CCND1 P24385 16/20 0.53
CDK2 P24941 10/20 0.53
CCND3 P30281 10/20 0.53
CCND2 P30279 9/20 0.53
CCNA2 P20248 7/20 0.53
FGFR1 P11362 6/20 0.53
FGFR2 P21802 6/20 0.53
FGFR4 P22455 6/20 0.53
FGFR3 P22607 6/20 0.53
CCNE1 P24864 4/20 0.53
CCNA1 P78396 3/20 0.53
CCNE2 O96020 1/20 0.53
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
JAK2 O60674 2/20 0.47
BRD4 O60885 2/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46

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
SCHEMBL10192640 0.91 CDK4 (0.59) CDK4CCND1CDK2CCND3CCND2
SCHEMBL15035266 0.87 PAK3 (0.56) CDK4CCND1CDK2CCND3CCND2
SCHEMBL10192641 0.87 CDK4 (0.57) CDK4CCND1CDK2CCND3CCND2
SCHEMBL14866076 0.84 CDK4 (0.74) CDK4CCND1CDK2CCND3CCND2
SCHEMBL15041582 0.81 CDK4 (0.49) CDK4CCND1CDK2CCND3CCND2
SCHEMBL15041538 0.80 CDK4 (0.71) CDK4CCND1CDK2CCND3CCND2
SCHEMBL15035466 0.79 CDK4 (0.43) CDK4CCND1CDK2CCND3CCNA2
SCHEMBL15041317 0.78 CDK4 (0.47) CDK4CCND1CDK2CCND3CCND2
SCHEMBL10192644 0.76 CDK4 (0.49) CDK4CCND1CDK2CCND3CCND2
SCHEMBL10192642 0.76 CDK4 (0.60) CDK4CCND1CDK2CCND3CCND2

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CDK2 183/4885

“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.