Sugi Predict

Sugi Predict / Compounds / SCHEMBL4811230

SCHEMBL4811230

SCHEMBL4811230

CN(C)CC(=O)c1c[nH]c2nccc(Oc3ccc([N+](=O)[O-])cc3F)c12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 9/20 0.60
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ROCK2 O75116 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ HSPB1 P04792 3/20 0.38
▸ MAP4K1 Q92918 1/20 0.36
▸ AXL P30530 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
SCHEMBL4247050 0.88 MET (0.46) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL4250011 0.86 MET (0.56) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL4821300 0.85 MET (0.63) METROCK2CYP3A4MAP4K1AXL
SCHEMBL4252195 0.85 MET (0.44) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL4248999 0.82 MET (0.43) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL23081494 0.78 HSPB1 (0.44) METMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL4814859 0.78 TRPA1 (0.47) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL29631602 0.78 TRPA1 (0.47) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL29814379 0.78 HSPB1 (0.44) METMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27674903 0.76 MET (0.39) METMAPTPOLBSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — 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 (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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885MAPT 3021/4885POLB 3017/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885MAPT 1770/4885POLB 2179/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885MAPT 3021/4885POLB 3017/4885

“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.