SCHEMBL8475288

SCHEMBL8475288

CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.52
PIK3CB P42338 12/20 0.52
PIK3CG P48736 12/20 0.52
PIK3CA P42336 11/20 0.52
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL3786690 0.92 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2717170 0.92 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2721618 0.92 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL8486983 0.91 PIK3CD (0.57) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL6122982 0.90 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3777170 0.90 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL6127707 0.90 PIK3CD (0.44) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3788051 0.89 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL8476282 0.89 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL8475319 0.87 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312175-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2018-04-25 EP disclosed
US-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
US-8765768-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765768-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765768-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20130231352-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-09-05 US disclosed
US-20130231352-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-09-05 US disclosed
US-20130231352-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-09-05 US disclosed
WO-2012068343-A1 QUINOLINE DERIVATIVES AS PIK3 INHIBITORS AMGEN INC. (US) 2012-05-24 WO 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK PIK3CD 14/4885PIK3CB 23/4885PIK3CG 19/4885
US-20130231352-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, SSB PIK3CD 4115/4885PIK3CB 4221/4885PIK3CG 4638/4885

“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.