Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3605348

N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(F)(F)F)cn23)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.38
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDH1 O75874 1/20 0.32
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
CFTR P13569 1/20 0.32
GCGR P47871 1/20 0.32
GSK3A P49840 3/20 0.31
CDK1 P06493 2/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
GPR6 P46095 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
AR P10275 1/20 0.30
SCN9A Q15858 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
SCHEMBL14079311 0.95 GSK3B (0.38) GSK3BKDM4EMAPTTDP1IDH1
SCHEMBL12680808 0.83 GSK3B (0.38) GSK3BKDM4EMAPTTDP1IDH1
SCHEMBL10270741 0.81 GSK3B (0.49) GSK3BMAPTGSK3ACDK1CCNB2
SCHEMBL3605004 0.81 IDH1 (0.32) IDH1
SCHEMBL3607564 0.80 GSK3B (0.51) GSK3BKDM4EMAPTTDP1IDH1
SCHEMBL12680870 0.79 KDM4E (0.36) GSK3BKDM4EMAPTTDP1IDH1
SCHEMBL3610032 0.79 GSK3B (0.43) GSK3BKDM4EMAPTTDP1DPP4
SCHEMBL12680847 0.76 KDM4E (0.40) GSK3BKDM4EMAPTTDP1GSK3A
SCHEMBL12680864 0.75 GSK3B (0.38) GSK3BKDM4EMAPTTDP1DPP4
SCHEMBL14079619 0.74 GSK3B (0.32) GSK3B

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 5 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

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 GSK3B 3269/4885KDM4E 2988/4885MAPT 4250/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885KDM4E 3000/4885MAPT 3689/4885

“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.