SCHEMBL4962233

SCHEMBL4962233

CSc1cc([N+](=O)[O-])cc2c(O)c(C#N)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CTSB P07858 4/20 0.36
▸ GLA P06280 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GPR35 Q9HC97 2/20 0.35
▸ XDH P47989 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 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
SCHEMBL4960870 0.85 VCAM1 (0.39) VCAM1HTTGAAGLAMEN1
SCHEMBL4961696 0.81 VCAM1 (0.41) VCAM1HTTGAACTSBGLA
SCHEMBL4962416 0.81 GPR35 (0.47) VCAM1HTTGAACTSBGLA
SCHEMBL1897066 0.81 EGFR (0.44) VCAM1HTTGAACTSBGLA
SCHEMBL4961376 0.73 MAP3K8 (0.54) EGFRERBB2
SCHEMBL15320353 0.73 VCAM1 (0.47) VCAM1HTTGAAMEN1KMT2A
SCHEMBL5251761 0.69 EGFR (0.47) VCAM1HTTGAACTSBMEN1
SCHEMBL10966857 0.68 VCAM1 (0.54) VCAM1GAAMEN1KMT2ALMNA
SCHEMBL1891197 0.68 VCAM1 (0.41) VCAM1HTTGAAGLAMEN1
SCHEMBL2975176 0.68 VCAM1 (0.41) VCAM1HTTCTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 — — EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 — — US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 — — 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 VCAM1 3621/4885HTT 4249/4885GAA 4325/4885

“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.

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