Sugi Predict

Sugi Predict / Compounds / SCHEMBL20061343

SCHEMBL20061343

SCHEMBL20061343

O=Cc1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.43
▸ METAP1 P53582 1/20 0.43
▸ CBFB Q13951 1/20 0.43
▸ DHODH Q02127 4/20 0.41
▸ PADI4 Q9UM07 2/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ LMNA P02545 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ TOP1 P11387 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL20068036 0.78 PIK3CD (0.38) METAP2METAP1CBFBDHODHPADI4
SCHEMBL28565125 0.78 PIK3CD (0.38) METAP2METAP1CBFBDHODHPADI4
SCHEMBL20061342 0.78 PIK3CD (0.38) METAP2METAP1CBFBDHODHPADI4
SCHEMBL20061345 0.78 PIK3CD (0.53) METAP2METAP1CBFBPIK3CDPIK3CA
SCHEMBL28565071 0.78 PIK3CD (0.53) METAP2METAP1CBFBPIK3CDPIK3CA
SCHEMBL20081373 0.78 FABP3 (0.44) METAP2METAP1CBFBDHODHPIK3CD
SCHEMBL18332819 0.76 CASP3 (0.54) METAP2METAP1CBFBPIK3CDPIK3CA
SCHEMBL6121710 0.73 PIK3CD (0.58) METAP2METAP1CBFBPIK3CDPIK3CA
SCHEMBL20067857 0.73 PIK3CD (0.58) METAP2METAP1CBFBPIK3CDPIK3CA
SCHEMBL20068034 0.72 PIK3CD (0.46) METAP2METAP1CBFBDHODHPIK3CD

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
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
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 METAP2 1571/4885METAP1 1674/4885CBFB 4367/4885

“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.