Sugi Predict

Sugi Predict / Compounds / SCHEMBL6644398

SCHEMBL6644398

SCHEMBL6644398

N#Cc1cnc2ncc([N+](=O)[O-])cc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GLA P06280 2/20 0.41
▸ IDO1 P14902 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ GRM6 O15303 1/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ GRIA3 P42263 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ PIN1 Q13526 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
SCHEMBL1895810 0.80 VCAM1 (0.54) VCAM1MEN1KMT2AXDHALDH1A1
SCHEMBL29354755 0.80 VCAM1 (0.47) VCAM1GAAHTTGLAXDH
SCHEMBL4960627 0.80 VCAM1 (0.47) VCAM1GAAHTTGLAXDH
SCHEMBL4960667 0.78 VCAM1 (0.41) VCAM1GAAHTTGLAXDH
SCHEMBL4959858 0.78 XDH (0.49) VCAM1GAAHTTGLAMEN1
SCHEMBL1891197 0.78 VCAM1 (0.41) VCAM1GAAHTTGLAMEN1
SCHEMBL4961890 0.78 VCAM1 (0.41) VCAM1GAAHTTGLAXDH
SCHEMBL5255601 0.77 VCAM1 (0.54) VCAM1GAAHTTMEN1KMT2A
SCHEMBL1816348 0.76 VCAM1 (0.56) VCAM1GAAHTTGLAXDH
SCHEMBL30618307 0.76 VCAM1 (0.56) VCAM1GAAHTTGLAXDH

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-1171440-B1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES WYETH CORP (US) 2004-04-14 — — EP disclosed
US-6548496-B2 Anticancer agents AMERICAN CYANAMID COMPANY 2003-04-15 — — US disclosed
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases AMERICAN CYANAMID COMPANY 2002-11-07 — — US disclosed
US-6355636-B1 ENZYME INHIBITORS AMERICAN CYANAMID COMPANY 2002-03-12 — — US disclosed
EP-1171440-A1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES American Cyanamid Company (US) 2002-01-16 — — EP disclosed
WO-2000066583-A1 SUBSTITUTED 3-CYANO-[1.7], [1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES AMERICAN CYANAMID COMPANY (US) 2000-11-09 — — 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 (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-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases ABL1, ROS1, ALK VCAM1 2623/4885GAA 2908/4885HTT 4588/4885

“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.