SCHEMBL864801

SCHEMBL864801

COCCNc1nc2cc(F)ccc2cc1[C@H](C)Nc1ncnc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.46
PIK3CG P48736 4/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CA P42336 2/20 0.46
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
IP6K1 Q92551 1/20 0.37
LDHA P00338 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NR2F2 P24468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL864802 1.00 PIK3CD (0.46) PIK3CDPIK3CGPIK3CBPIK3CAHTT
SCHEMBL864325 0.95 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3CAHTT
SCHEMBL864326 0.95 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3CAHTT
SCHEMBL3408045 0.85 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL249333 0.85 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL14873075 0.82 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL3415141 0.82 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL248985 0.82 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL249839 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL10077088 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CA

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 14/4885PIK3CG 21/4885PIK3CB 16/4885

“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.