Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9928822

COc1c(C(C)Nc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C(O)CN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.39
EGFR P00533 5/20 0.36
BRAF P15056 4/20 0.32
KDR P35968 3/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CB P42338 1/20 0.31
AKT1 P31749 1/20 0.31
TSHR P16473 1/20 0.31
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL9929703 0.94 PIK3CD (0.43) PIK3CDEGFRKDRPIK3R2TSHR
Trifluoroacetic Acid SCHEMBL9952883 0.86 EGFR (0.33) EGFRBRAFKDRTSHR
Trifluoroacetic Acid SCHEMBL9929171 0.78 PIK3CD (0.52) PIK3CD
Trifluoroacetic Acid SCHEMBL9929120 0.78 PIK3CD (0.51) PIK3CD
Trifluoroacetic Acid SCHEMBL9929146 0.77 PIK3CD (0.51) PIK3CD
Trifluoroacetic Acid SCHEMBL9928925 0.77 PIK3CD (0.50) PIK3CD
Trifluoroacetic Acid SCHEMBL9928702 0.77 PIK3CD (0.52) PIK3CD
SCHEMBL9929165 0.76 EGFR (0.40) PIK3CDEGFRBRAFKDRPIK3R2
Trifluoroacetic Acid SCHEMBL9929170 0.76 PIK3CD (0.41) PIK3CDEGFRAKT1RPS6KB1
Trifluoroacetic Acid SCHEMBL9929085 0.76 PIK3CD (0.42) PIK3CDPIK3CB

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 10 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
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO 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 2/4885EGFR 602/4885BRAF 76/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885EGFR 602/4885BRAF 76/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885EGFR 602/4885BRAF 76/4885

“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.