Sugi Predict

Sugi Predict / Compounds / SCHEMBL2144158

SCHEMBL2144158

SCHEMBL2144158

C=CC(=O)NCc1cc([N+](=O)[O-])cc(C)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL13583169 0.85 ALDH1A1 (0.41) ALDH1A1GPR35ALOX5MEN1KMT2A
SCHEMBL13583170 0.85 ALDH1A1 (0.41) ALDH1A1GPR35ALOX5MEN1KMT2A
SCHEMBL11192228 0.82 TGM2 (0.48) TGM2ALDH1A1RORCMEN1KMT2A
SCHEMBL2144451 0.79 TGM2 (0.48) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13583068 0.78 ALOX5 (0.41) ALDH1A1GPR35ALOX5KMT2AMAPT
SCHEMBL14287871 0.74 HTT (0.56) ALDH1A1GPR35MEN1KMT2AMAPT
SCHEMBL5746519 0.74 CYP1A2 (0.49) ALDH1A1GPR35MEN1KMT2AMAPT
SCHEMBL5748243 0.73 PDGFRB (0.51) ALDH1A1GPR35MEN1KMT2AMAPT
SCHEMBL31490717 0.73 ALDH1A1 (0.46) ALDH1A1GPR35MEN1KMT2AMAPT
SCHEMBL5747544 0.73 ALDH1A1 (0.46) ALDH1A1GPR35MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 — — EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 — — US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 — — US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 — — EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 — — US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 — — 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TGM2 1123/4885ALDH1A1 1694/4885GPR35 2112/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TGM2 1123/4885ALDH1A1 1694/4885GPR35 2112/4885

“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.