Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2124393

Cc1c(N2CCNCC2)nc2cc(F)cc(F)c2c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
GPR6 P46095 15/20 0.39
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
ATP6V1B2 P21281 1/20 0.37
TBXA2R P21731 1/20 0.37
EDNRA P25101 1/20 0.37
TARBP2 Q15633 1/20 0.37

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
SCHEMBL2608578 0.90 PIK3CA (0.47) PIK3CA
SCHEMBL2123656 0.81 PIK3CA (0.41) PIK3CAGPR6
SCHEMBL17635535 0.79 PIK3CA (0.41) PIK3CA
SCHEMBL2125290 0.78 PIK3CA (0.47) PIK3CA
SCHEMBL2711122 0.78 KDM4E (0.38) PIK3CALMNA
SCHEMBL2712128 0.77 HRH4 (0.48) PIK3CAHRH4
SCHEMBL2124095 0.77 PIK3CA (0.52) PIK3CALMNA
SCHEMBL248736 0.76 PIK3CA (0.54) PIK3CALMNA
SCHEMBL2711898 0.76 PIK3CA (0.50) PIK3CA
SCHEMBL2713627 0.76 PIK3CA (0.38) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO 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 (2 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885GPR6 1928/4885HRH4 881/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 29/4885GPR6 1782/4885HRH4 1040/4885

“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.