SCHEMBL4962416

SCHEMBL4962416

N#Cc1cnc2c(Cl)cc([N+](=O)[O-])cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.47
▸ VCAM1 P19320 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ XDH P47989 1/20 0.37
▸ GLA P06280 2/20 0.36
▸ TTR P02766 1/20 0.36

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
SCHEMBL4960627 0.86 VCAM1 (0.47) GPR35VCAM1ALDH1A1HTTGAA
SCHEMBL29354755 0.86 VCAM1 (0.47) GPR35VCAM1ALDH1A1HTTGAA
SCHEMBL4961696 0.84 VCAM1 (0.41) GPR35VCAM1ALDH1A1HTTGAA
SCHEMBL18367769 0.84 ALDH1A1 (0.47) GPR35VCAM1ALDH1A1HTTGAA
SCHEMBL4962233 0.81 VCAM1 (0.38) GPR35VCAM1ALDH1A1HTTGAA
SCHEMBL1897066 0.81 EGFR (0.44) VCAM1ALDH1A1HTTGAAKDM4E
SCHEMBL18367763 0.77 MAP3K8 (0.39) VCAM1HTTGAAMEN1MAPT
SCHEMBL2975176 0.76 VCAM1 (0.41) GPR35VCAM1ALDH1A1HTTKDM4E
SCHEMBL23899063 0.76 SRC (0.36) MAP3K8
SCHEMBL18367742 0.76 EGFR (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 — — CN disclosed
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 GPR35 2772/4885VCAM1 3621/4885ALDH1A1 3975/4885

“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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