SCHEMBL20061380

SCHEMBL20061380

CC[C@H](Nc1ncnc2[nH]ccc(=O)c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 18/20 0.84
PIK3CD O00329 17/20 0.84
PIK3CB P42338 13/20 0.84
PIK3CA P42336 11/20 0.84
PIK3R1 P27986 6/20 0.72
PIK3R2 O00459 1/20 0.72
ABCB11 O95342 1/20 0.72
HTR1A P08908 1/20 0.72
PTGS1 P23219 1/20 0.72
OPRM1 P35372 1/20 0.72
PRKDC P78527 1/20 0.72
SLC6A3 Q01959 1/20 0.72
PDE4D Q08499 1/20 0.72
PDE3A Q14432 1/20 0.72
PIK3C3 Q8NEB9 1/20 0.72

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
SCHEMBL16108147 0.92 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL16108145 0.92 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL20061549 0.89 PIK3CD (0.77) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL20067825 0.89 PIK3CD (0.77) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
Idelalisib SCHEMBL29422886 0.86 PIK3CD (0.78) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
Idelalisib SCHEMBL356400 0.86 PIK3CD (0.78) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
Idelalisib SCHEMBL29354482 0.86 PIK3CD (0.78) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
Idelalisib SCHEMBL19499808 0.86 PIK3CD (0.78) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
Idelalisib SCHEMBL356401 0.86 PIK3CD (0.78) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
Idelalisib SCHEMBL16822786 0.86 PIK3CD (0.77) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1

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-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-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

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-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 PIK3CG 19/4885PIK3CD 14/4885PIK3CB 23/4885

“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.