Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9929043

CCOc1c(C(C)Nc2ncnc3[nH]cnc23)cc(C#N)c(F)c1-c1ccc(C(=O)N(C)C)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.41
PIK3CG P48736 4/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
CYP3A4 P08684 1/20 0.35
SOS1 Q07889 1/20 0.32
GPR6 P46095 1/20 0.31
PIK3R2 O00459 2/20 0.31

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
SCHEMBL9928933 0.96 PIK3CD (0.43) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
Trifluoroacetic Acid SCHEMBL9929324 0.90 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
Trifluoroacetic Acid SCHEMBL9952120 0.86 PIK3CD (0.37) PIK3CDCYP3A4
SCHEMBL9929308 0.85 PIK3CD (0.47) PIK3CD
SCHEMBL9929484 0.84 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
SCHEMBL9967867 0.84 PIK3CD (0.40) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
Trifluoroacetic Acid SCHEMBL9928934 0.82 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2
SCHEMBL9928749 0.79 PIK3CD (0.38) PIK3CD
Trifluoroacetic Acid SCHEMBL9928812 0.78 PIK3CD (0.39) PIK3CDPIK3CGPIK3CAPIK3CBCYP3A4
Trifluoroacetic Acid SCHEMBL9951953 0.77 PIK3CD (0.41) PIK3CDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-9527848-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-12-27 US disclosed
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-10-08 US disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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 (3 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885PIK3CG 5/4885PIK3CA 1/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885PIK3CG 5/4885PIK3CA 1/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885PIK3CG 5/4885PIK3CA 1/4885

“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.