Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4088295

Nc1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.41
CAPN1 P07384 1/20 0.37
IKBKB O14920 3/20 0.36
CHUK O15111 3/20 0.36
DYRK1A Q13627 2/20 0.36
AURKB Q96GD4 2/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL99592 0.90 PRKCI (0.43) PRKCIIKBKBCHUKDYRK1AAURKB
SCHEMBL29540694 0.90 PRKCI (0.43) PRKCIIKBKBCHUKDYRK1AAURKB
Trifluoroacetic Acid SCHEMBL4092155 0.89 CAPN1 (0.46) PRKCICAPN1KDRROCK1BRAF
Trifluoroacetic Acid SCHEMBL4087911 0.86 CYP2D6 (0.43) DYRK1AMAP4K2ROCK1BRAFCYP2D6
Trifluoroacetic Acid SCHEMBL4082497 0.86 GRM5 (0.48) PRKCIMET
Trifluoroacetic Acid SCHEMBL4086536 0.85 SMN1; SMN2 (0.39) PRKCIMETPLK1GABRA1GABRB2
Trifluoroacetic Acid SCHEMBL4092178 0.84 MAPK14 (0.41) PRKCICAPN1IKBKBCHUKAURKB
Trifluoroacetic Acid SCHEMBL4099689 0.84 PRKCI (0.47) PRKCIIKBKBCHUKDYRK1AAURKB
Trifluoroacetic Acid SCHEMBL4093205 0.83 AKT1 (0.43) PRKCICAPN1IKBKBCHUKAURKB
Trifluoroacetic Acid SCHEMBL4097114 0.82 CTSA (0.36) PRKCICAPN1AURKBKDRMAP4K2

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 PRKCI 304/4885CAPN1 4026/4885IKBKB 181/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885CAPN1 4026/4885IKBKB 181/4885

“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.