Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4097362

N#Cc1cccc(-c2cn(-c3ccnc4[nH]ccc34)cn2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.40
NEK1 Q96PY6 1/20 0.39
BRD4 O60885 1/20 0.38
PRKCI P41743 1/20 0.38
SYK P43405 2/20 0.38
PRKDC P78527 1/20 0.37
ATR Q13535 1/20 0.37
GRM5 P41594 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ADORA2A P29274 1/20 0.35
HSP90AA1 P07900 3/20 0.35
PIN1 Q13526 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 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
SCHEMBL29540698 0.90 GRM5 (0.43) NEK1BRD4PRKCIGRM5CYP1A2
SCHEMBL100846 0.90 GRM5 (0.43) NEK1BRD4PRKCIGRM5CYP1A2
Trifluoroacetic Acid SCHEMBL4082497 0.84 GRM5 (0.48) SGK1NEK1BRD4PRKCISYK
Trifluoroacetic Acid SCHEMBL4088293 0.84 GRM5 (0.47) SGK1NEK1BRD4PRKCISYK
Trifluoroacetic Acid SCHEMBL4082706 0.83 CYP2D6 (0.44) PRKCISYKHSD17B10ROCK1CYP2D6
SCHEMBL100468 0.78 JAK2 (0.52) PRKCIHSP90AA1IKBKBCHUKDAPK3
SCHEMBL30663353 0.78 JAK2 (0.52) PRKCIHSP90AA1IKBKBCHUKDAPK3
Trifluoroacetic Acid SCHEMBL4097538 0.76 PRKCI (0.42) SGK1NEK1PRKCIJAK2JAK3
Trifluoroacetic Acid SCHEMBL4093224 0.75 TEK (0.44) SYKGRM5HSD17B10BRAF
Trifluoroacetic Acid SCHEMBL4093375 0.75 PRKCI (0.45) NEK1PRKCIGRM5JAK2JAK3

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 SGK1 900/4885NEK1 1035/4885BRD4 96/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 SGK1 900/4885NEK1 1035/4885BRD4 96/4885

“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.