SCHEMBL15041555

SCHEMBL15041555

CN(C)C(=O)c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.41
CCND1 P24385 9/20 0.41
CCND3 P30281 11/20 0.39
CDK2 P24941 6/20 0.39
CDK6 Q00534 4/20 0.39
CCNE1 P24864 2/20 0.39
CCNA2 P20248 4/20 0.39
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
CDK9 P50750 4/20 0.37
CDK1 P06493 2/20 0.37
CCNT1 O60563 3/20 0.36
CDK3 Q00526 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HDAC1 Q13547 1/20 0.35
GAK O14976 1/20 0.35
FECH P22830 1/20 0.35
CDK16 Q00536 1/20 0.35

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
SCHEMBL15035330 0.93 CDK4 (0.37) CDK4CCND1CCND3CDK2CDK6
SCHEMBL15041801 0.87 CDK4 (0.42) CDK4CCND1CCND3CDK2CDK6
SCHEMBL15041612 0.83 CDK4 (0.43) CDK4CCND1CCND3CDK2CDK6
SCHEMBL15035366 0.81 CDK4 (0.39) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL15041292 0.81 MAPK8 (0.41) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL15035376 0.80 CDK4 (0.39) CDK4CCND1CCND3CDK2CDK6
SCHEMBL15041600 0.79 CDK4 (0.39) CDK4CCND1CCND3CDK2CDK6
SCHEMBL15035564 0.77 CDK4 (0.39) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL15035536 0.76 TNK2 (0.42) CDK4CCND1CDK2CCNA2CAMK2D
SCHEMBL15041291 0.76 CDK4 (0.44) CDK4CCND1CCND3CDK2CDK6

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 2153/4885CCND3 2451/4885

“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.