SCHEMBL1456997

SCHEMBL1456997

COCCOCn1nc(I)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.48
▸ ACHE P22303 7/20 0.48
▸ CNR1 P21554 6/20 0.48
▸ F2RL3 Q96RI0 3/20 0.47
▸ MAPT P10636 3/20 0.40
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL3517141 0.87 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL29644071 0.87 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL5381747 0.81 F2RL3 (0.48) CNR2ACHECNR1F2RL3MAPT
SCHEMBL30284921 0.78 CNR2 (0.38) CNR2ACHECNR1F2RL3MAPT
SCHEMBL2144335 0.78 CNR2 (0.38) CNR2ACHECNR1F2RL3MAPT
SCHEMBL25925602 0.76 CNR1 (0.44) CNR2ACHECNR1MAPTF2
SCHEMBL29644016 0.76 CNR2 (0.43) CNR2ACHECNR1F2RL3MAPT
SCHEMBL2470918 0.74 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT
SCHEMBL19208718 0.74 ELANE (0.49) CNR2ACHECNR1MAPTF2
SCHEMBL30183407 0.74 CNR2 (0.45) CNR2ACHECNR1F2RL3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295413-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
EP-2295412-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
CN-1812973-B Indazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-22 — — CN disclosed
CN-1812973-A Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICAL CO LTD (US) 2006-08-02 — — CN disclosed
US-7041687-B2 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-09 — — US disclosed
EP-1467972-A1 INDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-10-20 — — EP disclosed
US-20040009968-A1 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 — — US disclosed
WO-2003064397-A1 INDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-07 — — 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-20040009968-A1 Indazole compounds useful as protein kinase inhibitors PRKD3, PDPK1, PDK1 CNR2 2766/4885ACHE 2333/4885CNR1 2608/4885

“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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