SCHEMBL15041254

SCHEMBL15041254

CN1CCN(c2ccc(Nc3ncc4cc(C(=O)C5CC5)c(=O)n(Cc5cccn5-c5nccs5)c4n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.48
FGFR1 P11362 3/20 0.47
FGFR2 P21802 2/20 0.47
FGFR4 P22455 2/20 0.47
FGFR3 P22607 2/20 0.47
SRC P12931 1/20 0.47
CDK4 P11802 8/20 0.45
CCND1 P24385 7/20 0.45
CCND2 P30279 4/20 0.45
CCND3 P30281 4/20 0.45
PAK1 Q13153 3/20 0.44
PKN1 Q16512 2/20 0.44
PAK4 O96013 1/20 0.44
JAK3 P52333 4/20 0.44
JAK2 O60674 3/20 0.44
EGFR P00533 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 1/20 0.44
BTK Q06187 1/20 0.44
CCNA2 P20248 2/20 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
SCHEMBL15035034 0.93 WEE1 (0.48) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15041180 0.91 WEE1 (0.47) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15034815 0.84 WEE1 (0.47) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15041423 0.80 CDK4 (0.48) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15041187 0.79 PTK2 (0.40) WEE1SRCPKN1PAK4JAK3
SCHEMBL15034889 0.78 JAK3 (0.39) WEE1SRCPKN1PAK4JAK3
SCHEMBL15041434 0.78 WEE1 (0.45) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15237018 0.76 WEE1 (0.47) WEE1FGFR1FGFR2FGFR4FGFR3
SCHEMBL15041767 0.74 PTK2 (0.38) FGFR1FGFR2FGFR4FGFR3CDK4
SCHEMBL15041340 0.74 CDK4 (0.44) WEE1FGFR1FGFR2FGFR4FGFR3

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 WEE1 558/4885FGFR1 2874/4885FGFR2 2557/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885FGFR1 1919/4885FGFR2 1706/4885

“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.