Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18108642

O=C(NCc1ccccn1)c1ccc2[nH]nc(NC(=O)c3ccc(F)cc3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CDK7 P50613 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PAK4 O96013 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ CDK9 P50750 1/20 0.48

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
SCHEMBL18120885 0.95 NPC1 (0.57) NPC1RAB9AKDM4EMAPK10HSD17B10
Trifluoroacetic Acid SCHEMBL18108697 0.86 AURKA (0.56) FLT3
SCHEMBL18108756 0.83 MAPK1 (0.61) MAPK10CDK7ROCK2CDC7DAPK3
Trifluoroacetic Acid SCHEMBL18108590 0.82 CDK7 (0.44) CDK7ROCK2CDC7DAPK3PRKD3
SCHEMBL8252025 0.82 MAPK1 (0.60) NPC1RAB9AKDM4EMAPK10HSD17B10
SCHEMBL18108624 0.79 AURKA (0.58) NPC1RAB9AKDM4EMAPK10HSD17B10
SCHEMBL18108646 0.79 HDAC6 (0.52) MAPK10CDK7ROCK2CDC7DAPK3
SCHEMBL18120892 0.79 AURKA (0.59) NPC1RAB9AFLT3
SCHEMBL18108595 0.78 MAPK1 (0.60) CDK7ROCK2CDC7DAPK3PRKD3
SCHEMBL18108645 0.78 TTK (0.56) RAB9AKDM4EHSD17B10CDK7ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US claimed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — US claimed
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — 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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same TNIK, TNNI3K, TNK1 NPC1 2878/4885RAB9A 3308/4885KDM4E 2206/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 NPC1 2944/4885RAB9A 3052/4885KDM4E 1268/4885

“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.

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