SCHEMBL3604564

SCHEMBL3604564

COC(=O)c1nn(C(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.40
PLAU P00749 6/20 0.40
F2 P00734 5/20 0.40
CTRB1 P17538 3/20 0.40
KLKB1 P03952 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MET P08581 2/20 0.37
NR3C2 P08235 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
MAP2K4 P45985 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
CACNA1F O60840 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35

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
SCHEMBL3608498 0.90 TSHR (0.37) ELANEPLAUF2CTRB1KLKB1
SCHEMBL31190618 0.84 MET (0.38) NPSR1METMAPTPOLBMAP2K4
SCHEMBL3600765 0.84 MAP2K4 (0.37) NPSR1METMAPTPOLBMAP2K4
SCHEMBL3598244 0.84 MET (0.38) NPSR1METMAPTPOLBMAP2K4
SCHEMBL3594679 0.82 ELANE (0.41) ELANEPLAUF2CTRB1KLKB1
SCHEMBL3610439 0.82 MAP2K4 (0.36) NPSR1METMAPTPOLBMAP2K4
SCHEMBL3597479 0.81 MAP2K4 (0.35) NPSR1METMAPTPOLBMAP2K4
SCHEMBL31190606 0.77 MET (0.38) NPSR1METMAPTMAP2K4KDM4E
SCHEMBL6256806 0.76 HTT (0.42) ELANEPLAUF2CTRB1KLKB1
SCHEMBL29510797 0.74 CREBBP (0.44) ELANENPSR1METMAPTMAP2K4

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
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ELANE 2028/4885PLAU 3019/4885F2 2144/4885

“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.