Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4360146

N#Cc1cccc(NC(=O)N2CCN(c3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.60
P2RY12 Q9H244 1/20 0.39
HIF1A Q16665 3/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
USP2 O75604 6/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL1074023 0.95 ALK (0.66) ALKHIF1ACYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4360985 0.94 ALK (0.61) ALKP2RY12
Trifluoroacetic Acid SCHEMBL4371092 0.93 ALK (0.66) ALKP2RY12SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4360466 0.91 ALK (0.61) ALKHSD17B10SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL4363168 0.89 ALK (0.63) ALKSMN1; SMN2
SCHEMBL1076850 0.89 ALK (0.67) ALK
SCHEMBL1074091 0.88 ALK (0.72) ALKP2RY12
SCHEMBL1076871 0.88 ALK (0.65) ALKHSD17B10SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL1074487 0.86 ALK (0.63) ALK
SCHEMBL1076611 0.86 ALK (0.67) ALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885P2RY12 3344/4885HIF1A 2339/4885

“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.