SCHEMBL4311016

SCHEMBL4311016

O=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1c(F)cccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
HSPB1 P04792 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
SCHEMBL4322018 0.90 NR1I2 (0.42) NR1I2
SCHEMBL4304254 0.89 HSPB1 (0.39) HSPB1
SCHEMBL4312155 0.84 TRPA1 (0.37)
SCHEMBL13882467 0.84 NR1I2 (0.37) NR1I2
SCHEMBL13882471 0.84 NR1I2 (0.37) NR1I2
SCHEMBL4307927 0.84 MAPK14 (0.38)
SCHEMBL4308128 0.84 HSPB1 (0.37) HSPB1
SCHEMBL13882473 0.84 NR1I2 (0.35) NR1I2
SCHEMBL22059644 0.83 MAPK14 (0.51) HSPB1
SCHEMBL4308373 0.82 MAPK14 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088436-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
EP-1963314-A2 P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007067478-A2 P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
WO-2007067478-A2 P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 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 (2 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-20090088436-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 NR1I2 589/4885HSPB1 113/4885
US-20070129372-A1 P38 kinase inhibiting agents MAPK1, MAPK8, MAPK7 NR1I2 589/4885HSPB1 113/4885

“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.