Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3602165

Nc1cc(CCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(CN4CCOCC4)cn23)c([N+](=O)[O-])c(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.37
MAPT P10636 4/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
GPR6 P46095 1/20 0.34
SLC2A2 P11168 1/20 0.34
CYP2C19 P33261 1/20 0.33
ACVR1 Q04771 2/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
HTT P42858 3/20 0.32
MAPK1 P28482 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KLK7 P49862 1/20 0.32
USP2 O75604 1/20 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
Trifluoroacetic Acid SCHEMBL3610303 0.87 TP53 (0.34) MAPTGSK3BDPP4DPP7
SCHEMBL3612603 0.82 MAPT (0.39) KCNJ1MAPTGSK3AGSK3BLMNA
SCHEMBL10270545 0.79 GSK3B (0.48) MAPTGSK3AGSK3BSLC2A2CYP2C19
SCHEMBL3606332 0.78 TP53 (0.38) MAPTGSK3AGSK3BLMNADPP4
Trifluoroacetic Acid SCHEMBL3597637 0.77 GSK3B (0.48) MAPTGSK3AGSK3BGPR6SLC2A2
SCHEMBL3607009 0.75 GSK3B (0.37) MAPTGSK3AGSK3BLMNADPP4
SCHEMBL3603974 0.73 EGLN2 (0.35) MAPTGSK3AGSK3BLMNADPP4
Trifluoroacetic Acid SCHEMBL3616492 0.72 NUDT1 (0.33) MAPT
SCHEMBL3606285 0.71 GSK3B (0.36) MAPTGSK3AGSK3BDPP4
SCHEMBL3612667 0.70 CYP2A13 (0.45) MAPTSLC2A2LMNASMN1; SMN2HTT

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 4 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
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 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 (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 KCNJ1 1553/4885MAPT 4250/4885GSK3A 3185/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT KCNJ1 1438/4885MAPT 3689/4885GSK3A 2953/4885

“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.