Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4093224

N#Cc1cccc(C(=O)Nc2cccc(-c3ccn(-c4ccnc5[nH]ccc45)n3)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.44
SLC2A1 P11166 1/20 0.43
MAPK14 Q16539 1/20 0.43
GRM5 P41594 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
BRAF P15056 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SYK P43405 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39

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
SCHEMBL29540753 0.94 MAPK14 (0.47) TEKMAPK14GRM5BRAFALDH1A1
SCHEMBL98624 0.94 MAPK14 (0.47) TEKMAPK14GRM5BRAFALDH1A1
Trifluoroacetic Acid SCHEMBL4082497 0.90 GRM5 (0.48) TEKGRM5SYK
Trifluoroacetic Acid SCHEMBL4092015 0.84 JAK3 (0.44) BRAFALDH1A1TP53
Trifluoroacetic Acid SCHEMBL4081895 0.82 JAK3 (0.37) GRM5
SCHEMBL100042 0.81 GRM5 (0.57) GRM5HSD17B10
SCHEMBL4093226 0.80 GRM5 (0.41) TEKGRM5BRAFSYK
Trifluoroacetic Acid SCHEMBL4092155 0.79 CAPN1 (0.46) MAPK14BRAFALDH1A1PIKFYVE
Trifluoroacetic Acid SCHEMBL4088295 0.79 PRKCI (0.41) BRAF
SCHEMBL4092018 0.79 BRAF (0.40) MAPK14BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TEK 659/4885SLC2A1 4849/4885MAPK14 362/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TEK 659/4885SLC2A1 4849/4885MAPK14 362/4885

“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.