Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4088476

COC(=O)c1cccc(-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
CDK8 P49336 1/20 0.47
PRKCI P41743 2/20 0.45
NEK1 Q96PY6 5/20 0.44
GRM4 Q14833 1/20 0.42
AXL P30530 1/20 0.42
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
SDHB P21912 1/20 0.38
CREBBP Q92793 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL101730 0.94 CDK8 (0.53) CDK8PRKCINEK1GRM4AXL
SCHEMBL29540515 0.94 CDK8 (0.53) CDK8PRKCINEK1GRM4AXL
Trifluoroacetic Acid SCHEMBL4086493 0.87 PRKCI (0.48) CDK8PRKCIGRM4SYKMEN1
Trifluoroacetic Acid SCHEMBL4082067 0.87 PRKCI (0.54) CDK8PRKCIGRM4ABL1BCR
Trifluoroacetic Acid SCHEMBL4099689 0.86 PRKCI (0.47) CDK8PRKCIGRM4SYKMEN1
Trifluoroacetic Acid SCHEMBL4095832 0.84 PRKCI (0.51) CDK8PRKCIGRM4ABL1BCR
Trifluoroacetic Acid SCHEMBL4088293 0.84 GRM5 (0.47) PRKCINEK1GRM4SYKMEN1
Trifluoroacetic Acid SCHEMBL4099614 0.83 PRKCI (0.48) PRKCIGRM4ABL1BCR
SCHEMBL4086496 0.83 PRKCI (0.48) CDK8PRKCIGRM4MEN1NPC1
Trifluoroacetic Acid SCHEMBL4086259 0.83 PRKCI (0.44) 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 CDK8 200/4885PRKCI 304/4885NEK1 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 CDK8 200/4885PRKCI 304/4885NEK1 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.