SCHEMBL15041212

SCHEMBL15041212

O=C(c1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(Cc2ccoc2C2=CCCC2)c1=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.42
CCND1 P24385 13/20 0.42
FGFR1 P11362 10/20 0.42
CCNA2 P20248 9/20 0.42
CDK2 P24941 9/20 0.42
FGFR2 P21802 8/20 0.42
FGFR4 P22455 8/20 0.42
FGFR3 P22607 8/20 0.42
CDK6 Q00534 4/20 0.40
JAK3 P52333 2/20 0.39
KDR P35968 2/20 0.39
WEE1 P30291 1/20 0.38
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNE1 P24864 2/20 0.37
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
CCNA1 P78396 2/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37

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
SCHEMBL15034789 0.94 CDK4 (0.40) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15041762 0.88 CDK4 (0.42) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15034972 0.81 CDK4 (0.40) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15041164 0.79 CDK4 (0.44) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15237018 0.77 WEE1 (0.47) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15041417 0.77 WEE1 (0.45) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15041224 0.77 CDK4 (0.50) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15041758 0.76 CDK4 (0.42) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15041391 0.75 CDK4 (0.41) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15035786 0.72 FGFR1 (0.44) CDK4CCND1FGFR1CCNA2CDK2

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 CDK4 408/4885CCND1 3984/4885FGFR1 2874/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885FGFR1 1919/4885

“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.