SCHEMBL17708295

SCHEMBL17708295

CC(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nn3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.55
PIK3R1 P27986 7/20 0.55
PIK3CB P42338 6/20 0.54
PIK3CD O00329 5/20 0.54
PIK3CG P48736 4/20 0.54
MTOR P42345 3/20 0.54
RAF1 P04049 1/20 0.52

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
SCHEMBL17708298 0.90 PIK3CA (0.60) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL17708297 0.90 PIK3CA (0.60) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL17708300 0.90 PIK3CA (0.52) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL17708296 0.86 PIK3CA (0.63) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL17708290 0.86 PIK3CA (0.73) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL15454303 0.79 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30366836 0.79 PIK3CA (0.62) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL26115714 0.77 PIK3CA (0.77) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL16727866 0.77 PIK3CA (0.60) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL29310624 0.75 PIK3CA (0.65) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG

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
US-9440981-B2 Pyrrolo[2, 1-F] [1,2,4]triazine derivative and use thereof for treating tumors PHARMABLOCK (NANJING) R&D CO. LTD (CN) 2016-09-13 US disclosed
US-9440981-B2 Pyrrolo[2, 1-F] [1,2,4]triazine derivative and use thereof for treating tumors PHARMABLOCK (NANJING) R&D CO. LTD (CN) 2016-09-13 US disclosed
US-20160115166-A1 PYRROLO[2, 1-F] [1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF FOR TREATING TUMORS PHARMABLOCK (NANJING) R&D CO. LTD. (CN) 2016-04-28 US disclosed
US-20160115166-A1 PYRROLO[2, 1-F] [1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF FOR TREATING TUMORS PHARMABLOCK (NANJING) R&D CO. LTD. (CN) 2016-04-28 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 (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-20160115166-A1 PYRROLO[2, 1-F] [1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF FOR TREATING TUMORS GLS2, GTF2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PIK3CA 2172/4885PIK3R1 3962/4885PIK3CB 3041/4885

“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.