Sugi Predict

Sugi Predict / Compounds / SCHEMBL6477902

SCHEMBL6477902

SCHEMBL6477902

Nc1n[nH]c2c([N+](=O)[O-])c(Br)c([N+](=O)[O-])cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CCNB2 O95067 1/20 0.35

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
SCHEMBL6484907 0.78 ADORA2A (0.39) ADORA2AADORA2BMAPTALDH1A1CYP3A4
SCHEMBL6477758 0.75 CCNE2 (0.37) ADORA2AADORA2BMAPTALDH1A1CYP3A4
SCHEMBL6479084 0.75 TYMS (0.41) ADORA2AADORA2BMAPTALDH1A1CYP3A4
SCHEMBL11751133 0.74 TDP1 (0.46) ADORA2AADORA2BMAPTALDH1A1CYP3A4
SCHEMBL11773834 0.74 CYP1A2 (0.47) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL10369121 0.73 TDP1 (0.49) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL6486222 0.72 JAK2 (0.45) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL11751835 0.69 GRIN2D (0.50) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL11747550 0.69 MAPT (0.54) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL760073 0.68 TDP1 (0.52) MAPTALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 — — US claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 — — US claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 — — EP disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 — — US disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 — — 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 (1 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 ADORA2A 369/4885ADORA2B 375/4885MAPT 4462/4885

“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.