SCHEMBL15041371

SCHEMBL15041371

CN1CCN(c2ccc(Nc3ncc4cc(Oc5ccccc5F)c(=O)n(Cc5cnncc5-c5ccncc5)c4n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.58
CDK4 P11802 7/20 0.48
CCND1 P24385 6/20 0.48
CCND2 P30279 6/20 0.48
CCND3 P30281 6/20 0.48
WEE1 P30291 1/20 0.48
PAK1 Q13153 3/20 0.46
PKN1 Q16512 2/20 0.46
PAK4 O96013 1/20 0.46
FGFR4 P22455 3/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 2/20 0.45
SRC P12931 1/20 0.45
PAK3 O75914 2/20 0.44
PAK2 Q13177 2/20 0.44
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL15035010 0.93 MAPK8 (0.52) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041742 0.89 MAPK8 (0.58) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15258253 0.84 MAPK8 (0.48) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15034778 0.82 MAPK8 (0.52) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041429 0.82 MAPK8 (0.56) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041366 0.81 MAPK8 (0.59) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15041388 0.81 MAPK8 (0.59) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15280129 0.78 MAPK8 (0.56) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL15036280 0.77 CDK4 (0.45) MAPK8CDK4CCND1CCND2CCND3
SCHEMBL13553557 0.75 WEE1 (0.70) CDK4CCND1CCND2CCND3WEE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
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 (2 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 MAPK8 14/4885CDK4 408/4885CCND1 3984/4885
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.