Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082497

N#Cc1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
SGK1 O00141 1/20 0.39
NEK1 Q96PY6 1/20 0.38
PRKCI P41743 1/20 0.37
SYK P43405 2/20 0.37
MAPK10 P53779 1/20 0.37
PRKDC P78527 1/20 0.36
ATR Q13535 1/20 0.36
MET P08581 1/20 0.36
CRHR1 P34998 1/20 0.36
TEK Q02763 1/20 0.36
BRD4 O60885 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL100042 0.91 GRM5 (0.57) GRM5NEK1PRKCIMAPK10MET
Trifluoroacetic Acid SCHEMBL4081895 0.90 JAK3 (0.37) GRM5PRKCIMETCRHR1SLC22A12
Trifluoroacetic Acid SCHEMBL4093224 0.90 TEK (0.44) GRM5SYKTEK
SCHEMBL4093226 0.87 GRM5 (0.41) GRM5NEK1PRKCISYKMAPK10
Trifluoroacetic Acid SCHEMBL4092155 0.86 CAPN1 (0.46) PRKCIMET
Trifluoroacetic Acid SCHEMBL4088295 0.86 PRKCI (0.41) PRKCIMET
Trifluoroacetic Acid SCHEMBL4097114 0.85 CTSA (0.36) PRKCIMET
SCHEMBL15970475 0.85 GRM5 (0.51) GRM5NEK1PRKCIMAPK10MET
Trifluoroacetic Acid SCHEMBL4088293 0.85 GRM5 (0.47) GRM5SGK1NEK1PRKCISYK
Trifluoroacetic Acid SCHEMBL4097362 0.84 SGK1 (0.40) GRM5SGK1NEK1PRKCISYK

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 GRM5 2793/4885SGK1 900/4885NEK1 1035/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM5 2793/4885SGK1 900/4885NEK1 1035/4885

“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.