Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1748780

COc1cc2c(-c3cc4cccnc4[nH]3)cn(CCCN3CCN(CCO)CC3)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.55
▸ SYK P43405 1/20 0.43
▸ DRD2 P14416 4/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ CDK9 P50750 4/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ RIPK1 Q13546 2/20 0.36
▸ CASP7 P55210 3/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ CASP9 P55211 1/20 0.34

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
SCHEMBL5797045 0.93 IGF1R (0.63) IGF1RSYKDRD2DRD3CDK9
Trifluoroacetic Acid SCHEMBL1748997 0.92 IGF1R (0.53) IGF1RSYKDRD2DRD3RIPK1
SCHEMBL1748781 0.90 IGF1R (0.55) IGF1RSYKDRD2DRD3CDK9
SCHEMBL1748897 0.88 IGF1R (0.65) IGF1RSYKDRD2DRD3CDK9
SCHEMBL1748652 0.84 IGF1R (0.71) IGF1RSYKRIPK1GSK3BKDR
SCHEMBL1749243 0.84 IGF1R (0.74) IGF1RSYKRIPK1GSK3BKDR
SCHEMBL27687971 0.84 IGF1R (0.61) IGF1RSYKDRD2DRD3CDK9
SCHEMBL1748879 0.84 IGF1R (0.61) IGF1RSYKDRD2DRD3RIPK1
Trifluoroacetic Acid SCHEMBL1748896 0.83 IGF1R (0.53) IGF1RSYKCDK9CCNT1RIPK1
SCHEMBL1749006 0.81 IGF1R (0.67) IGF1RSYKDRD2DRD3RIPK1

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-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 — — US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 — — US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 — — US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 — — 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 IGF1R 817/4885SYK 379/4885DRD2 2844/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 IGF1R 817/4885SYK 379/4885DRD2 2844/4885

“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.