SCHEMBL15041597

SCHEMBL15041597

CN1CCOC(c2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(C5Cc6ccccc6NC5=O)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.37
CDK4 P11802 6/20 0.37
CCNA2 P20248 6/20 0.37
CCND1 P24385 6/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
TNK2 Q07912 6/20 0.36
SRC P12931 3/20 0.36
CCNE1 P24864 4/20 0.36
CCNT1 O60563 3/20 0.36
CDK1 P06493 3/20 0.36
CCND3 P30281 3/20 0.36
CDK9 P50750 3/20 0.36
CDK6 Q00534 3/20 0.36
PAK4 O96013 1/20 0.36
PKN1 Q16512 1/20 0.36
MAP4K1 Q92918 1/20 0.35
ABL1 P00519 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
SCHEMBL15035470 0.93 PAK4 (0.36) CDK2CDK4CCNA2CCND1FGFR1
SCHEMBL15035320 0.77 CDK4 (0.45) CDK2CDK4CCNA2CCND1FGFR1
SCHEMBL15035539 0.76 FGFR1 (0.42) CDK2CDK4CCNA2CCND1FGFR1
SCHEMBL15041309 0.76 CDK4 (0.49) CDK2CDK4CCNA2CCND1FGFR1
SCHEMBL15041838 0.76 CDK4 (0.44) CDK2CDK4CCNA2CCND1FGFR1
SCHEMBL15041406 0.74 TNK2 (0.36) TNK2SRCPAK4PKN1ABL1
SCHEMBL15041392 0.73 TNK2 (0.36) TNK2SRCPAK4PKN1ABL1
SCHEMBL15035711 0.73 PTK2 (0.36) CDK4CCND1TNK2SRCCCND3
SCHEMBL15041237 0.73 TNK2 (0.37) CDK2CDK4CCNA2CCND1FGFR1
SCHEMBL15280145 0.73 JAK3 (0.35) TNK2SRCPAK4PKN1JAK3

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 CDK2 183/4885CDK4 404/4885CCNA2 2011/4885

“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.