Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4086281

N#Cc1ccc(-n2cc(-c3ccnc4[nH]ccc34)cn2)c(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.49
GRM4 Q14833 1/20 0.49
JAK1 P23458 11/20 0.46
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
JAK3 P52333 3/20 0.43
TYK2 P29597 2/20 0.43
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL4088137 0.93 GRM4 (0.49) JAK2GRM4JAK1AURKAAURKB
SCHEMBL100383 0.91 GRM4 (0.55) JAK2GRM4JAK1AURKAAURKB
SCHEMBL29540957 0.91 GRM4 (0.55) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092309 0.91 JAK2 (0.51) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4093603 0.90 GRM4 (0.49) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4091952 0.90 GRM4 (0.49) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4086078 0.88 JAK1 (0.49) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4093301 0.88 GRM4 (0.49) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092728 0.87 GRM4 (0.52) JAK2GRM4JAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4096450 0.86 GRM4 (0.62) JAK2GRM4JAK1AURKAAURKB

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

“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.