Sugi Predict

Sugi Predict / Compounds / SCHEMBL1773116

SCHEMBL1773116

SCHEMBL1773116

CC(=O)c1cc2cc([N+](=O)[O-])cnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP2C19 P33261 1/20 0.38
▸ NPBWR1 P48145 1/20 0.37
▸ ABL1 P00519 6/20 0.37
▸ SRC P12931 6/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL16592715 0.87 APEX1 (0.44) CYP1A2GAAALDH1A1TDP1
SCHEMBL12393061 0.87 APEX1 (0.44) CYP1A2GAAALDH1A1TDP1
SCHEMBL12393058 0.86 ABL1 (0.48) ABL1SRC
SCHEMBL15859814 0.86 ALDH1A1 (0.40) CYP1A2GAAALDH1A1CYP2C19ABL1
SCHEMBL18403156 0.85 ALDH1A1 (0.42) CYP1A2GAAALDH1A1CYP2C19ABL1
SCHEMBL13260628 0.85 ALDH1A1 (0.42) CYP1A2GAAALDH1A1TDP1
SCHEMBL23926508 0.85 KMT2A (0.42) CYP1A2GAAALDH1A1CYP2C19
SCHEMBL13261081 0.79 MAPK1 (0.37) CYP1A2GAAALDH1A1CYP2C19MAPK1
SCHEMBL15860021 0.78 HTT (0.56) GAAALDH1A1
SCHEMBL18403121 0.78 NFE2L2 (0.47) GAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 — — US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 — — US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 — — US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 — — US disclosed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 — — US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 — — US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 — — 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 (3 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 CYP1A2 2053/4885GAA 2202/4885ALDH1A1 2782/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 CYP1A2 3009/4885GAA 1820/4885ALDH1A1 3646/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP1A2 1814/4885GAA 1677/4885ALDH1A1 960/4885

“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.