Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4099689

Nc1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.47
GRM4 Q14833 1/20 0.44
NTRK1 P04629 3/20 0.39
DYRK1A Q13627 2/20 0.39
PIK3CA P42336 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 1/20 0.36
NUDT1 P36639 1/20 0.36
AURKB Q96GD4 2/20 0.36
AURKA O14965 1/20 0.36
INCENP Q9NQS7 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
KIT P10721 1/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 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
SCHEMBL99240 0.90 PRKCI (0.57) PRKCIGRM4NTRK1DYRK1APIK3CA
SCHEMBL29540569 0.90 PRKCI (0.57) PRKCIGRM4NTRK1DYRK1APIK3CA
Trifluoroacetic Acid SCHEMBL4086493 0.90 PRKCI (0.48) PRKCIGRM4DYRK1AMEN1NPC1
Trifluoroacetic Acid SCHEMBL4082067 0.89 PRKCI (0.54) PRKCIGRM4DYRK1AJAK1NUDT1
Trifluoroacetic Acid SCHEMBL4095594 0.88 PRKCI (0.51) PRKCIGRM4JAK1AURKBAURKA
Trifluoroacetic Acid SCHEMBL4095832 0.86 PRKCI (0.51) PRKCIGRM4DYRK1AJAK1NUDT1
Trifluoroacetic Acid SCHEMBL4088476 0.86 CDK8 (0.47) PRKCIGRM4MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4088293 0.86 GRM5 (0.47) PRKCIGRM4MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4086259 0.85 PRKCI (0.44) PRKCIGRM4MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4082559 0.84 PRKCI (0.43) PRKCIGRM4MEN1NPC1RAB9A

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 304/4885GRM4 2958/4885NTRK1 1809/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885NTRK1 1809/4885

“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.