SCHEMBL863915

SCHEMBL863915

COCCNc1nc2c(C)c(F)ccc2cc1C(C)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.39
CDK5R1 Q15078 9/20 0.39
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCNB2 O95067 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
CCNB3 Q8WWL7 4/20 0.34
CSNK2A1 P68400 1/20 0.34
CTSA P10619 1/20 0.33
NPR1 P16066 1/20 0.33
SYK P43405 1/20 0.33
IDO1 P14902 1/20 0.33
HCAR3 P49019 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
SCHEMBL863617 0.88 ALDH1A1 (0.35) CDK5CDK5R1MAPK1KDM4EALDH1A1
SCHEMBL3714054 0.85 KDM4E (0.37) CDK5CDK5R1KDM4EALDH1A1RXFP1
SCHEMBL3714056 0.85 KDM4E (0.37) CDK5CDK5R1KDM4EALDH1A1RXFP1
SCHEMBL865348 0.81 KDM4E (0.45) CDK5CDK5R1MAPK1KDM4EALDH1A1
SCHEMBL3711295 0.79 ALDH1A1 (0.39) CDK5CDK5R1MAPK1KDM4EALDH1A1
SCHEMBL15184778 0.79 HTR7 (0.39) KDM4EALDH1A1RXFP1
SCHEMBL864178 0.79 HTR7 (0.39) KDM4EALDH1A1RXFP1
SCHEMBL3711291 0.76 ALDH1A1 (0.35) CDK5CDK5R1KDM4EALDH1A1RXFP1
SCHEMBL716685 0.76 L3MBTL1 (0.34)
SCHEMBL14482160 0.76 MEN1 (0.35) KDM4EALDH1A1RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA CDK5 92/4885CDK5R1 254/4885MAPK1 96/4885

“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.