Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3602164

NC1=NC(N)C(CCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(CN4CCOCC4)cn23)([N+](=O)[O-])C=C1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.33
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR6 P46095 1/20 0.32
SLC2A2 P11168 1/20 0.32
ACVR1 Q04771 3/20 0.31
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
ALDH1A1 P00352 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
Trifluoroacetic Acid SCHEMBL3610302 0.88
SCHEMBL3612597 0.83 MAPT (0.30) MAPT
Trifluoroacetic Acid SCHEMBL3602165 0.80 KCNJ1 (0.37) KCNJ1CYP2C19LMNAKDM4EMAPT
SCHEMBL3607008 0.77 PIK3CA (0.33) DPP4
SCHEMBL3603972 0.76 EGLN2 (0.32)
Trifluoroacetic Acid SCHEMBL3597637 0.75 GSK3B (0.48) CYP2C19KDM4EMAPTHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3616490 0.75
SCHEMBL10270545 0.73 GSK3B (0.48) CYP2C19LMNAKDM4EMAPTHTT
SCHEMBL3606283 0.73 PIK3CA (0.32)
SCHEMBL3601731 0.70

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 1553/4885CYP2C19 328/4885LMNA 4505/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT KCNJ1 1438/4885CYP2C19 110/4885LMNA 3887/4885

“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.