SCHEMBL15035306

SCHEMBL15035306

C=C(c1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.46
FGFR1 P11362 11/20 0.46
CCND1 P24385 13/20 0.45
CDK2 P24941 11/20 0.45
CCNA2 P20248 10/20 0.45
FGFR2 P21802 9/20 0.45
FGFR4 P22455 9/20 0.45
FGFR3 P22607 9/20 0.45
CCNE1 P24864 5/20 0.44
CCND2 P30279 5/20 0.44
CCND3 P30281 5/20 0.44
CCNE2 O96020 4/20 0.44
CCNA1 P78396 4/20 0.44
PAK4 O96013 1/20 0.44
PAK1 Q13153 1/20 0.44
PKN1 Q16512 1/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CDK6 Q00534 3/20 0.44
PIK3CD O00329 1/20 0.44

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
SCHEMBL15041547 0.94 CDK4 (0.48) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15035421 0.81 CDK4 (0.47) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15035490 0.77 FGFR1 (0.41) CDK4FGFR1CCND1FGFR4CCND3
SCHEMBL15035442 0.77 CDK4 (0.54) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15041594 0.75 CDK4 (0.47) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15034900 0.74 FGFR1 (0.42) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15035543 0.74 CDK4 (0.49) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15035379 0.74 CDK4 (0.44) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15035392 0.73 CDK4 (0.47) CDK4FGFR1CCND1CDK2CCNA2
SCHEMBL15035337 0.73 CDK4 (0.51) CDK4FGFR1CCND1CDK2CCNA2

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 404/4885FGFR1 1919/4885CCND1 2153/4885

“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.