SCHEMBL2602341

SCHEMBL2602341

Cc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.45
S1PR4 O95977 1/20 0.45
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MET P08581 10/20 0.38
KDR P35968 10/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL108759 0.86 HSPB1 (0.45) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL14230559 0.86 HSPB1 (0.45) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL306344 0.86 HSPB1 (0.45) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL3568082 0.86 MET (0.51) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL13168660 0.85 KDR (0.44) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3565390 0.85 HSPB1 (0.42) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL3568638 0.85 HSPB1 (0.42) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL307636 0.84 HSPB1 (0.44) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL27811860 0.84 KDR (0.47) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3568582 0.84 MET (0.53) HSPB1S1PR4MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors METHYLGENE INC. (CA) 2013-11-21 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 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 (3 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 HSPB1 3979/4885S1PR4 3707/4885MAPT 1952/4885
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors MAP3K19, MAP3K15, MAP3K9 HSPB1 3924/4885S1PR4 3866/4885MAPT 1835/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HSPB1 3979/4885S1PR4 3707/4885MAPT 1952/4885

“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.