SCHEMBL17016706

SCHEMBL17016706

Cc1cc(Br)c(-c2ccc(F)cc2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
ALOX5 P09917 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
DHODH Q02127 2/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL15614326 0.83 APP (0.36) MAPK14ALOX5ALDH1A1LMNABCL2L1
SCHEMBL17016670 0.80 HPGD (0.44) MAPK14ALOX5ADORA2AADORA2BADORA1
SCHEMBL16616411 0.78 ALDH1A1 (0.44) ADORA2AADORA2BADORA1ALDH1A1LMNA
SCHEMBL17016709 0.77 MAPK14 (0.39) MAPK14ALOX5ALDH1A1TRPM8BCL2L1
SCHEMBL30738312 0.69 KDM4E (0.41) MAPK14ALOX5ADORA2AADORA2BADORA1
SCHEMBL22179699 0.69 KDM4E (0.41) MAPK14ALOX5ADORA2AADORA2BADORA1
SCHEMBL15577566 0.68 PDGFRB (0.42) MAPK14TP53
SCHEMBL12004268 0.68 NQO2 (0.42) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL17016707 0.67 MAP4K4 (0.44) ALOX5EGLN1
SCHEMBL6590702 0.67 EGLN1 (0.46) MAPK14ALOX5ADORA2AADORA2BADORA1

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
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 MAPK14 3982/4885ALOX5 2325/4885ADORA2A 447/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 MAPK14 4176/4885ALOX5 2463/4885ADORA2A 369/4885

“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.