SCHEMBL19640426

SCHEMBL19640426

O=C(N(C(=O)C(F)(F)F)c1nc(N2CCOCC2)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
LIPG Q9Y5X9 2/20 0.43
LIPC P11150 1/20 0.43
ACACB O00763 13/20 0.42
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
SCN9A Q15858 1/20 0.39

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
SCHEMBL17767822 0.91 ACACB (0.44) FFAR1LIPGLIPCACACBPIK3CA
SCHEMBL17772960 0.91 POLB (0.46) FFAR1PIK3CAMTORPIK3CGSCN9A
SCHEMBL17772963 0.91 FFAR1 (0.43) FFAR1LIPGLIPCACACBPIK3CA
SCHEMBL17773010 0.91 PIK3CA (0.42) FFAR1LIPGLIPCACACBPIK3CA
SCHEMBL17772973 0.87 SCD (0.44) PIK3CAPIK3CGSCN9A
SCHEMBL17767837 0.86 PIK3CA (0.42) FFAR1LIPGLIPCACACBPIK3CA
SCHEMBL17767833 0.83 LMNA (0.48) ACACB
SCHEMBL17772966 0.82 POLB (0.43) FFAR1ACACBPIK3CAPIK3CGSCN9A
SCHEMBL28484261 0.82 LIPG (0.37) FFAR1LIPGLIPCSCN9A
SCHEMBL17773015 0.82 LMNA (0.44) FFAR1PIK3CAMTORPIK3CGSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428730-B 1,3, 5-triazinyl PI3K inhibitors as anti-cancer agents and methods of making the same 科学与工业研究会 2020-10-16 CN claimed
EP-3221307-B1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2019-07-24 EP claimed
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US claimed
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 US claimed
CN-107428730-B 1,3, 5-triazinyl PI3K inhibitors as anti-cancer agents and methods of making the same 科学与工业研究会 2020-10-16 CN disclosed
EP-3221307-B1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2019-07-24 EP disclosed
EP-3221307-B1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2019-07-24 EP disclosed
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 US disclosed
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 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-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF PIK3CA, PIK3R5, PIK3CD FFAR1 2474/4885LIPG 4094/4885LIPC 2231/4885

“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.