SCHEMBL15035014

SCHEMBL15035014

O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1Cc1ccoc1-c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.36
CDK4 P11802 8/20 0.35
CDK6 Q00534 2/20 0.35
PLK4 O00444 1/20 0.34
CCND1 P24385 6/20 0.33
FGFR1 P11362 4/20 0.33
EGFR P00533 1/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 3/20 0.33
CASP1 P29466 3/20 0.33
KMT2A Q03164 3/20 0.33
HIF1A Q16665 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL15041196 0.91 PRKCI (0.36) PRKCICDK4CDK6PLK4CCND1
SCHEMBL15242121 0.89 PRKCI (0.40) PRKCICDK4CDK6PLK4CCND1
SCHEMBL15236999 0.89 PRKCI (0.38) PRKCICDK4CDK6PLK4CCND1
SCHEMBL15237026 0.79 JAK2 (0.36) CDK4CDK6CCND1FGFR1EGFR
SCHEMBL15034956 0.79 IRAK4 (0.35) PRKCICDK4CDK6CCND1FGFR1
SCHEMBL15258276 0.78 CDK4 (0.35) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15034895 0.78 CDK4 (0.36) PRKCICDK4CDK6PLK4CCND1
SCHEMBL15035654 0.77 JAK2 (0.35) PRKCICDK4CDK6CCND1CDK2
SCHEMBL15035868 0.77 CDK4 (0.35) PRKCICDK4CDK6CCND1FGFR1
SCHEMBL15035729 0.76 ADORA2A (0.41) PRKCICDK4CDK6CCND1FGFR1

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 PRKCI 565/4885CDK4 408/4885CDK6 299/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PRKCI 217/4885CDK4 404/4885CDK6 435/4885

“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.