SCHEMBL20068045

SCHEMBL20068045

COc1ccc(Cn2ccc(=O)c3c(NC(C)c4nc5ccc(F)cc5c(=O)n4Cc4ccccn4)ncnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.40
PIK3CG P48736 6/20 0.40
BMPR1B O00238 2/20 0.40
ACVR1B P36896 2/20 0.40
TGFBR1 P36897 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PIK3CB P42338 5/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.37
BMPR1A P36894 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PIK3R1 P27986 2/20 0.36
BRD4 O60885 1/20 0.36
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL20081185 0.88 PIK3CD (0.54) PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1
SCHEMBL20067862 0.88 PIK3CD (0.54) PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1
SCHEMBL20067824 0.85 PIK3CD (0.49) PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1
SCHEMBL20067798 0.84 PIK3CD (0.51) PIK3CDPIK3CGBMPR1BACVR1BTGFBR1
SCHEMBL20067869 0.84 PIK3CD (0.52) PIK3CDPIK3CGBMPR1BACVR1BTGFBR1
SCHEMBL20081196 0.83 LMNA (0.39) PIK3CDPIK3CGBMPR1BACVR1BTGFBR1
SCHEMBL20067819 0.82 PIK3CD (0.48) PIK3CDPIK3CGBMPR1BACVR1BTGFBR1
SCHEMBL20081419 0.82 PIK3CD (0.48) PIK3CDPIK3CGBMPR1BACVR1BTGFBR1
SCHEMBL20068044 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1
SCHEMBL20061441 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CD 14/4885PIK3CG 19/4885BMPR1B 4876/4885

“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.