Sugi Predict

Sugi Predict / Compounds / SCHEMBL20068036

SCHEMBL20068036

SCHEMBL20068036

CC(C)(C)[S+]([O-])/N=C/c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ PIK3CB P42338 4/20 0.38
▸ PIK3CG P48736 4/20 0.38
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ CBFB Q13951 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL28565125 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2
SCHEMBL20061342 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2
SCHEMBL20061343 0.78 METAP2 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2
SCHEMBL20068033 0.74 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28575779 0.74 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20061346 0.74 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28565071 0.72 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2
SCHEMBL20061345 0.72 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2
SCHEMBL20081373 0.72 FABP3 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2
SCHEMBL18332819 0.70 CASP3 (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690433-B Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient 韩国化学研究院 2021-04-09 — — CN 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 PIK3CD 14/4885PIK3CA 18/4885PIK3CB 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.