Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4093205

Clc1ccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
AKT2 P31751 4/20 0.41
PRKCI P41743 3/20 0.38
GSK3B P49841 2/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MET P08581 6/20 0.38
CAPN1 P07384 1/20 0.37
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
AXL P30530 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PBK Q96KB5 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
Trifluoroacetic Acid SCHEMBL4092178 0.91 MAPK14 (0.41) PRKCIAURKAAURKBMETCAPN1
SCHEMBL29540449 0.89 PRKCI (0.46) AKT1AKT2PRKCIGSK3BAURKB
SCHEMBL102456 0.89 PRKCI (0.46) AKT1AKT2PRKCIGSK3BAURKB
Trifluoroacetic Acid SCHEMBL4092614 0.87 MET (0.43) METCAPN1MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4081895 0.87 JAK3 (0.37) AKT2PRKCIAURKAAURKBMET
Trifluoroacetic Acid SCHEMBL4088295 0.83 PRKCI (0.41) AKT2PRKCIAURKAAURKBMET
Trifluoroacetic Acid SCHEMBL4092155 0.83 CAPN1 (0.46) PRKCIMETCAPN1KDRNPC1
Trifluoroacetic Acid SCHEMBL4087911 0.81 CYP2D6 (0.43) METMAPT
Trifluoroacetic Acid SCHEMBL4082497 0.81 GRM5 (0.48) PRKCIMET
Trifluoroacetic Acid SCHEMBL4086536 0.80 SMN1; SMN2 (0.39) PRKCIGSK3BMETMAPTKMT2A

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 AKT1 1142/4885AKT2 1064/4885PRKCI 304/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AKT1 1142/4885AKT2 1064/4885PRKCI 304/4885

“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.