SCHEMBL6184499

SCHEMBL6184499

NC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccc3nnn(-c4ccccc4)c3c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
GSK3B P49841 2/20 0.44
TGFBR1 P36897 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
NT5E P21589 3/20 0.38
KCNMA1 Q12791 2/20 0.38
DHODH Q02127 2/20 0.38
ESR1 P03372 1/20 0.38
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK2 O96017 2/20 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
SCHEMBL6184613 0.94 KCNMA1 (0.43) MAPK14GSK3BTGFBR1NT5EKCNMA1
SCHEMBL6184681 0.86 NT5E (0.42) MAPK14TGFBR1NT5EKCNMA1CHEK2
SCHEMBL6183056 0.86 MAPK14 (0.43) MAPK14GSK3BTGFBR1NT5EKCNMA1
SCHEMBL6185563 0.78 MAPK14 (0.43) MAPK14NT5EDHODHKDM4ENPC1
SCHEMBL6186458 0.78 NT5E (0.43) MAPK14TGFBR1NT5EL3MBTL1
SCHEMBL6182069 0.77 NT5E (0.41) MAPK14NT5ENPC1L3MBTL1
SCHEMBL6186115 0.76 NT5E (0.42) MAPK14TGFBR1NT5E
SCHEMBL6184801 0.76 MAPK14 (0.46) MAPK14TGFBR1NT5EESR1KDM4E
SCHEMBL6188438 0.75 MAPK14 (0.45) MAPK14NT5EDHODH
SCHEMBL6184293 0.74 NT5E (0.41) MAPK14TGFBR1NT5EDHODHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP disclosed
US-6664395-B2 Benzotriazole compoundsn are the potent inhibitors of MAP kinases, preferably p38 kinase. They are useful for treating inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion, ischemia PFIZER INC 2003-12-16 US disclosed
US-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds PFIZER INC. 2003-04-24 US disclosed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 EP 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-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds MAPK1, JAK1, RUNX1 MAPK14 27/4885GSK3B 1730/4885TGFBR1 1295/4885

“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.