SCHEMBL15041598

SCHEMBL15041598

CN1CCSC(c2ccc(Nc3ncc4cc(C(=O)N(C)C)c(=O)n(C5Cc6ccccc6S(=O)(=O)C5(C)C)c4n3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.40
CCND1 P24385 12/20 0.40
CDK9 P50750 7/20 0.39
CCNT1 O60563 6/20 0.39
CCND3 P30281 7/20 0.36
CDK2 P24941 6/20 0.36
CDK6 Q00534 4/20 0.36
CCNE1 P24864 3/20 0.36
CCNA2 P20248 4/20 0.36
FGFR1 P11362 3/20 0.36
FGFR2 P21802 2/20 0.36
FGFR4 P22455 2/20 0.36
FGFR3 P22607 2/20 0.36
AXL P30530 1/20 0.36
CDK1 P06493 3/20 0.36
CDK5R1 Q15078 2/20 0.35
CDK3 Q00526 1/20 0.35
ABL1 P00519 2/20 0.35
PDGFRB P09619 2/20 0.35
KIT P10721 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
SCHEMBL15035560 0.93 CDK4 (0.35) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15041814 0.83 CDK4 (0.40) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15041815 0.82 CDK4 (0.42) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15041542 0.79 PTK2 (0.40) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15035292 0.77 PTK2 (0.39) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15035457 0.76 CDK4 (0.35) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15035356 0.75 CDK4 (0.38) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15035324 0.74 MAPK1 (0.38) CDK4CCND1CDK9CCNT1CCND3
SCHEMBL15035505 0.74 TNK2 (0.39) CDK4CCND1CDK9CCNT1CDK2
SCHEMBL15041305 0.73 CDK4 (0.46) CDK4CCND1CCND3CDK2CCNE1

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 2153/4885CDK9 509/4885

“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.