SCHEMBL1456541

SCHEMBL1456541

CC(C)(C)OC(=O)n1nc(NC(=O)c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.48
ELANE P08246 9/20 0.46
F2 P00734 5/20 0.46
PLAU P00749 5/20 0.46
CTRB1 P17538 5/20 0.46
KLKB1 P03952 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR17 Q13304 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
P2RY2 P41231 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 1/20 0.41
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL3516455 0.90 ELANE (0.54) WDR5ELANEF2PLAUCTRB1
SCHEMBL27819361 0.86 WDR5 (0.48) WDR5ELANEF2PLAUCTRB1
SCHEMBL15081314 0.83 ELANE (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4991927 0.81 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL6597793 0.78 CDK2 (0.53) ELANEF2PLAUCTRB1KLKB1
SCHEMBL18108643 0.76 THRB (0.55) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL3519191 0.75 ELANE (0.56) WDR5ELANEF2PLAUCTRB1
SCHEMBL2144637 0.75 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL30123629 0.75 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4134609 0.74 RAB9A (0.39) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A

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-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
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 WDR5 2018/4885ELANE 4722/4885F2 3532/4885

“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.