SCHEMBL16293498

SCHEMBL16293498

CC(N)c1nc2ccc(F)cc2c(=O)n1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.61
▸ PIK3CB P42338 4/20 0.49
▸ ALOX12 P18054 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PIK3CG P48736 2/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.46
▸ PIK3R1 P27986 3/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ IDO2 Q6ZQW0 1/20 0.41

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
SCHEMBL16293497 1.00 PIK3CD (0.61) PIK3CDPIK3CBALOX12SMN1; SMN2PIK3CG
SCHEMBL20067856 0.91 PIK3CD (0.61) PIK3CDPIK3CBALOX12SMN1; SMN2PIK3CG
SCHEMBL15813106 0.88 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3C3PIK3R1
SCHEMBL12885786 0.88 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3C3PIK3R1
SCHEMBL22227598 0.86 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3C3PIK3R1
SCHEMBL20061444 0.86 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3C3PIK3R1
SCHEMBL28563990 0.85 PIK3CD (0.55) PIK3CDPIK3CBALOX12SMN1; SMN2PIK3CG
SCHEMBL28563992 0.85 PIK3CD (0.55) PIK3CDPIK3CBALOX12SMN1; SMN2PIK3CG
SCHEMBL2504520 0.84 PIK3CD (0.59) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL12683042 0.84 PIK3CD (0.59) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA

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 5 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
EP-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 — — EP disclosed
US-20160039793-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-02-11 — — US disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 — — US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 — — 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 (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-20160039793-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 PIK3CD 4/4885PIK3CB 11/4885ALOX12 4390/4885
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 PIK3CD 4/4885PIK3CB 11/4885ALOX12 4390/4885

“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.

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