Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2794605

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1nc2c(c(N3CCNCC3)n1)CCN2

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKT1S1 Q96B36 12/20 0.47
▸ HRH4 Q9H3N8 2/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL2800011 0.78 AKT1S1 (0.53) AKT1S1DRD2HTR2C
Hydrochloric Acid SCHEMBL2797277 0.77 AKT1S1 (0.52) AKT1S1DRD2HTR2C
SCHEMBL31585568 0.76 AKT1S1 (0.52) AKT1S1
Trifluoroacetic Acid SCHEMBL6749589 0.72 NEK2 (0.54) HRH4EPHX2HRH3HTR2C
Trifluoroacetic Acid SCHEMBL2421451 0.72 CYP2D6 (0.45) HRH4EPHX2HRH3
Trifluoroacetic Acid SCHEMBL3883754 0.72 RPS6KB1 (0.40) HRH4EPHX2HRH3HTR2C
2-Piperazin-1-Yl-Pyrimidine SCHEMBL26600776 0.71 KDM4E (0.66) HRH4EPHX2HRH3
SCHEMBL22307577 0.70 AKT1 (0.46) DRD2HTR2C
Trifluoroacetic Acid SCHEMBL26600638 0.69 CYP2D6 (0.42) HRH4EPHX2HRH3
Trifluoroacetic Acid SCHEMBL26600211 0.69 PKM (0.48) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 — — US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 — — US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 — — US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 — — US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 — — EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 — — US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 — — WO 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 (4 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1S1 5/4885HRH4 3858/4885EPHX2 3797/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1S1 5/4885HRH4 3858/4885EPHX2 3797/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1S1 5/4885HRH4 3858/4885EPHX2 3797/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 AKT1S1 46/4885HRH4 1393/4885EPHX2 4004/4885

“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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