SCHEMBL4476089

SCHEMBL4476089

N=C(N)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ AURKA O14965 1/20 0.54
▸ PDPK1 O15530 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ LYN P07948 1/20 0.54

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
SCHEMBL11879327 0.85 MAPT (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6833524 0.84 MAPT (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10784640 0.84 MAPT (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL11579736 0.84 MAPT (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL11878500 0.81 GAA (0.56) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL11880298 0.81 MAPT (0.52) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL11876436 0.81 GRIN2D (0.63) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4506455 0.81 MAPT (0.64) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4506462 0.81 MAPT (0.64) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9836802 0.81 MAPT (0.62) MAPTKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501415-B2 Selective inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-10 — — US disclosed
EP-1833820-A1 SELECTIVE INHIBITORS OF ERK PROTEIN KINASE AND USES THEROF Vertex Pharmaceuticals Incorporated (US) 2007-09-19 — — EP disclosed
US-20060160807-A1 Selective inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 — — US disclosed
WO-2006071644-A1 SELECTIVE INHIBITORS OF ERK PROTEIN KINASES AND USES THEROF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-06 — — WO disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 — — US 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-20060160807-A1 Selective inhibitors of ERK protein kinase and uses thereof MAP3K20, MAP4K2, MAP4K1 MAPT 2609/4885KMT2A 3000/4885MEN1 2448/4885

“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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