SCHEMBL14681971

SCHEMBL14681971

Cn1cnc(-c2ccc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(-c4ccccc4)c3=O)cn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.39
ACVR1 Q04771 2/20 0.39
NOD2 Q9HC29 2/20 0.39
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
FGFR1 P11362 3/20 0.39
CCNA2 P20248 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
CDK2 P24941 3/20 0.39
WEE1 P30291 2/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
KHK P50053 1/20 0.38
TYRO3 Q06418 1/20 0.38

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
SCHEMBL13553613 0.92 RIPK2 (0.41) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15035086 0.83 WEE1 (0.40) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15041493 0.73 WEE1 (0.38) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL13553936 0.73 CDK4 (0.46) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15788005 0.72 CDK4 (0.44) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15035997 0.72 WEE1 (0.38) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15281637 0.72 WEE1 (0.39) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL13553928 0.71 WEE1 (0.45) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15787984 0.71 TYRO3 (0.44) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15036157 0.71 CDK4 (0.38) CDK4CCND1FGFR1CCNA2FGFR2

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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 RIPK2 1295/4885ACVR1 4838/4885NOD2 4077/4885

“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.