SCHEMBL15041844

SCHEMBL15041844

CN(C)C(=O)c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.47
CCND1 P24385 10/20 0.47
CDK2 P24941 7/20 0.47
FGFR1 P11362 5/20 0.47
CCNA2 P20248 5/20 0.47
FGFR2 P21802 5/20 0.47
FGFR4 P22455 5/20 0.47
FGFR3 P22607 5/20 0.47
CCND3 P30281 11/20 0.42
CCNE1 P24864 1/20 0.42
CDK6 Q00534 1/20 0.42
CDK9 P50750 2/20 0.42
CDK1 P06493 1/20 0.42
HDAC1 Q13547 3/20 0.40
CCND2 P30279 1/20 0.40
CCNA1 P78396 1/20 0.40
AURKA O14965 1/20 0.40
CCNT1 O60563 1/20 0.40
NTRK1 P04629 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL15035540 0.93 CDK4 (0.44) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041318 0.83 CDK4 (0.44) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15035485 0.79 CDK4 (0.44) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041818 0.78 CDK4 (0.45) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15035372 0.76 CDK4 (0.42) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041810 0.76 CDK4 (0.48) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15035321 0.76 CDK4 (0.40) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041301 0.74 CAMK2D (0.41) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15035302 0.73 CDK4 (0.42) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041322 0.73 CDK4 (0.47) CDK4CCND1CDK2FGFR1CCNA2

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.