SCHEMBL15788005

SCHEMBL15788005

CN1CCC(Nc2ccc(Nc3ncc4cc(-c5cnc(-c6nnn(C)n6)nc5)c(=O)n(-c5ccccc5)c4n3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCND2 P30279 2/20 0.44
CCND3 P30281 2/20 0.44
AXL P30530 2/20 0.40
SRC P12931 4/20 0.39
FGFR1 P11362 3/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPK14 Q16539 1/20 0.39
WEE1 P30291 7/20 0.39
EGFR P00533 2/20 0.39
RIPK2 O43353 1/20 0.39
ACVR1 Q04771 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL15035086 0.89 WEE1 (0.40) CDK4CCND1CCND2CCND3SRC
SCHEMBL15787990 0.87 CDK4 (0.46) CDK4CCND1CCND2CCND3AXL
SCHEMBL13553613 0.78 RIPK2 (0.41) CDK4CCND1CCND2CCND3SRC
SCHEMBL15787984 0.76 TYRO3 (0.44) CDK4CCND1CCND2CCND3AXL
SCHEMBL13553715 0.74 CDK4 (0.41) CDK4CCND1CCND2CCND3SRC
SCHEMBL14681971 0.72 RIPK2 (0.39) CDK4CCND1CCND2CCND3AXL
SCHEMBL13553930 0.72 CDK4 (0.40) CDK4CCND1CCND2CCND3AXL
SCHEMBL15036051 0.72 CDK7 (0.48) CDK4CCND1CCND2CCND3WEE1
SCHEMBL15787921 0.71 TNK2 (0.35) CDK4CCND1CCND2CCND3SRC
SCHEMBL13553495 0.70 PKN1 (0.51) CDK4CCND1CCND2CCND3FGFR1

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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 CDK4 98/4885CCND1 2208/4885CCND2 2554/4885

“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.