SCHEMBL3597479

SCHEMBL3597479

C=Cc1nn(C(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35
MET P08581 2/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
P2RX3 P56373 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G2A P14555 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3610439 0.90 MAP2K4 (0.36) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL3598244 0.83 MET (0.38) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL3600765 0.83 MAP2K4 (0.37) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL31190618 0.83 MET (0.38) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL3608498 0.82 TSHR (0.37) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL3604564 0.81 ELANE (0.40) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL30786187 0.76 MAP2K4 (0.42) MAP2K4ALDH1A1MEN1KMT2ANPC1
SCHEMBL31190606 0.76 MET (0.38) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL29510797 0.73 CREBBP (0.44) MAP2K4METMAPTALDH1A1LMNA
SCHEMBL2481191 0.73 CREBBP (0.44) MAP2K4METMAPTALDH1A1LMNA

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 MAP2K4 72/4885MET 700/4885MAPT 4701/4885

“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.