SCHEMBL17458201

SCHEMBL17458201

CC(N)c1nc2cccc(OCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.67
FKBP1A P62942 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PIK3CG P48736 2/20 0.44
PIK3R2 O00459 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17458199 1.00 PIK3CD (0.67) PIK3CDFKBP1AHSP90AA1HSP90AB1PIK3CG
SCHEMBL17458427 0.92 PIK3CD (0.67) PIK3CDALDH1A1MAPTKMT2AKDM4E
SCHEMBL17458426 0.92 PIK3CD (0.67) PIK3CDALDH1A1MAPTKMT2AKDM4E
SCHEMBL17458208 0.89 PIK3CD (0.69) PIK3CDFKBP1APIK3CGPIK3R2PIK3CA
SCHEMBL17458479 0.89 PIK3CD (0.68) PIK3CDALDH1A1HPGDKMT2AKDM4E
SCHEMBL17458478 0.89 PIK3CD (0.68) PIK3CDALDH1A1HPGDKMT2AKDM4E
SCHEMBL17461936 0.85 PIK3CD (0.64) PIK3CDFKBP1AHSP90AA1HSP90AB1PIK3CG
SCHEMBL23912244 0.85 PIK3CD (0.57) PIK3CDFKBP1AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL15812674 0.84 PIK3CD (0.50) PIK3CDFKBP1AHSP90AA1HSP90AB1PIK3CG
SCHEMBL17458387 0.84 PIK3CD (0.66) PIK3CDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed
US-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-08 US disclosed
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US disclosed
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-01-28 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-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 8/4885FKBP1A 3076/4885HSP90AA1 3142/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885FKBP1A 3146/4885HSP90AA1 3062/4885

“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.