SCHEMBL863719

SCHEMBL863719

CC(Nc1nc(F)nc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.44
IDH1 O75874 2/20 0.40
KDM4E B2RXH2 1/20 0.33
MAPK14 Q16539 1/20 0.33
FGFR1 P11362 1/20 0.32
ABCB11 O95342 1/20 0.32
TBXA2R P21731 1/20 0.32
PIK3R1 P27986 1/20 0.32
HTR2A P28223 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PDE3A Q14432 1/20 0.32
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
LRRK2 Q5S007 1/20 0.31
NTRK1 P04629 1/20 0.31
MERTK Q12866 2/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 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
SCHEMBL863718 1.00 PIK3CD (0.44) PIK3CDIDH1KDM4EMAPK14FGFR1
SCHEMBL863374 0.89 PIK3CD (0.45) PIK3CDIDH1KDM4EMAPK14PIK3R1
SCHEMBL863375 0.89 PIK3CD (0.45) PIK3CDIDH1KDM4EMAPK14PIK3R1
SCHEMBL864804 0.87 PIK3CD (0.49) PIK3CDIDH1KDM4EABCB11TBXA2R
SCHEMBL864803 0.87 PIK3CD (0.49) PIK3CDIDH1KDM4EABCB11TBXA2R
SCHEMBL864097 0.87 PIK3CD (0.48) PIK3CDIDH1MAPK14FGFR1ABCB11
SCHEMBL864096 0.87 PIK3CD (0.48) PIK3CDIDH1MAPK14FGFR1ABCB11
SCHEMBL4182532 0.79 PIK3CD (0.62) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL27802836 0.79 PIK3CD (0.62) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL864839 0.78 PIK3CD (0.46) PIK3CDABCB11TBXA2RPIK3R1HTR2A

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 PIK3CD 14/4885IDH1 727/4885KDM4E 2074/4885

“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.