Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3605360

NCCNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.38
DPP7 Q9UHL4 5/20 0.38
MAP4K2 Q12851 1/20 0.37
KCNH2 Q12809 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
ALPL P05186 3/20 0.35
ALPG P10696 1/20 0.35
IKBKB O14920 1/20 0.35
CDK11B P21127 1/20 0.35
CDK7 P50613 1/20 0.35
CDK13 Q14004 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
MYLK4 Q86YV6 1/20 0.35
CDK11A Q9UQ88 1/20 0.35
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
KARS1 Q15046 1/20 0.34
CFTR P13569 1/20 0.34
ADORA2A P29274 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL10270149 0.90 DPP4 (0.43) DPP4MAP4K2EGLN2NPC1RAB9A
SCHEMBL3609534 0.84 MAP4K2 (0.40) DPP4MAP4K2EGLN2ALPLALPG
Trifluoroacetic Acid SCHEMBL3602860 0.82 DPP4 (0.38) DPP4DPP7KCNH2EGLN2ALPL
SCHEMBL3603979 0.82 ALPL (0.43) DPP4MAP4K2EGLN2ALPLALPG
SCHEMBL4555435 0.81 GSK3B (0.39) DPP4MAP4K2KCNH2EGLN2ALPL
SCHEMBL4554539 0.81 MAP4K2 (0.38) DPP4MAP4K2EGLN2ALPLALPG
Hydrochloric Acid SCHEMBL3598849 0.81 GSK3B (0.39) DPP4MAP4K2KCNH2ALPLALPG
SCHEMBL10270181 0.81 GSK3B (0.43) DPP4MAP4K2ALPLALPGCFTR
SCHEMBL3608864 0.80 EGLN2 (0.41) DPP4MAP4K2EGLN2ALPLALPG
Trifluoroacetic Acid SCHEMBL3607999 0.80 DPP4 (0.41) DPP4DPP7KCNH2EGLN2ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO DPP4 436/4885DPP7 1082/4885MAP4K2 1001/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT DPP4 497/4885DPP7 1030/4885MAP4K2 605/4885

“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.