SCHEMBL15041543

SCHEMBL15041543

CN1CCN(c2ccc(Nc3ncc4cc(Oc5ccccc5F)c(=O)n(C5CC(=O)c6ccccc6C5)c4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.62
CDK4 P11802 12/20 0.53
CCND1 P24385 11/20 0.53
CCND2 P30279 7/20 0.53
CCND3 P30281 7/20 0.53
AURKA O14965 1/20 0.53
CDK2 P24941 7/20 0.52
CCNA2 P20248 6/20 0.52
CCNE1 P24864 5/20 0.52
CCNE2 O96020 4/20 0.52
CCNA1 P78396 3/20 0.52
PAK4 O96013 1/20 0.52
PAK1 Q13153 1/20 0.52
PKN1 Q16512 1/20 0.52
FGFR1 P11362 4/20 0.51
FGFR4 P22455 4/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
FGFR2 P21802 3/20 0.51
FGFR3 P22607 3/20 0.51

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
SCHEMBL15035294 0.92 MAPK8 (0.55) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041295 0.89 MAPK8 (0.49) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041800 0.88 MAPK8 (0.61) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041323 0.82 MAPK8 (0.60) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15035392 0.82 CDK4 (0.47) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15035409 0.80 MAPK8 (0.54) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL5263907 0.78 CDK4 (0.82) CDK4CCND1CCND2CCND3AURKA
SCHEMBL15041366 0.76 MAPK8 (0.59) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041556 0.76 MAPK8 (0.48) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15035511 0.75 MAPK8 (0.53) MAPK8CDK4CCND1CCND2CCND3

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 MAPK8 493/4885CDK4 404/4885CCND1 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.