SCHEMBL17708307

SCHEMBL17708307

CS(=O)(=O)N1CCN(C(=O)c2cc3c(N4CCOCC4)nc(Cl)nn3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.51
PIK3R1 P27986 10/20 0.51
PIK3CD O00329 5/20 0.45
MTOR P42345 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 3/20 0.45
RAF1 P04049 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL16611524 0.83 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL17708308 0.80 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL17708311 0.79 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL17708299 0.78 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL16611275 0.78 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL17708301 0.76 PIK3CA (0.48) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL1860727 0.73 PIK3CA (0.44) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL1858693 0.72 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL16727864 0.71 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL24100545 0.71 PIK3CD (0.42) PIK3CAPIK3R1PIK3CDMTORPIK3CB

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 3962/4885PIK3CD 3382/4885

“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.