SCHEMBL15041746

SCHEMBL15041746

O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n1Cc1cnncc1C1=CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.34
CCND1 P24385 12/20 0.34
FGFR1 P11362 9/20 0.33
EGFR P00533 3/20 0.33
CCNA2 P20248 9/20 0.33
CDK2 P24941 9/20 0.33
FGFR2 P21802 6/20 0.33
FGFR4 P22455 6/20 0.33
FGFR3 P22607 6/20 0.33
BRAF P15056 1/20 0.31
JAK2 O60674 1/20 0.30
BRD4 O60885 1/20 0.30
JAK1 P23458 1/20 0.30
BRD2 P25440 1/20 0.30
JAK3 P52333 1/20 0.30
BRD3 Q15059 1/20 0.30
BRDT Q58F21 1/20 0.30
CCND2 P30279 2/20 0.30
CCND3 P30281 2/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL15041252 0.94 CDK4 (0.34) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15034802 0.94 CDK4 (0.34) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15035021 0.93 CDK4 (0.36) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15034914 0.80 FGFR1 (0.33) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15035060 0.79 CDK2 (0.37) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15041397 0.78 CDK2 (0.35) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15035746 0.78 JAK2 (0.34) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15277147 0.78 JAK2 (0.35) CDK4CCND1FGFR1EGFRCCNA2
SCHEMBL15277135 0.77 JAK2 (0.34) CDK4CCND1FGFR1EGFRFGFR4
SCHEMBL15035798 0.77 JAK2 (0.33) CDK4CCND1FGFR1EGFRBRAF

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.