SCHEMBL3101735

SCHEMBL3101735

N#Cc1cc(Br)cc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TAS2R14 Q9NYV8 1/20 0.35
CTSS P25774 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GPR35 Q9HC97 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
HPGD P15428 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL31039307 1.00 NT5E (0.38) NT5EKDM4ETAS2R14CTSSALDH1A1
SCHEMBL28928751 0.79 MEN1 (0.35) KDM4EGPR35GAAHPGD
SCHEMBL855006 0.79 NT5E (0.47) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL21614639 0.77 HSP90AA1 (0.40) KDM4ETAS2R14CTSSALDH1A1LMNA
SCHEMBL29882555 0.77 HSP90AA1 (0.40) KDM4ETAS2R14CTSSALDH1A1LMNA
SCHEMBL23580667 0.77 HSP90AA1 (0.40) KDM4ETAS2R14CTSSALDH1A1LMNA
SCHEMBL25991641 0.74 TAS2R14 (0.39) KDM4ETAS2R14CTSSALDH1A1LMNA
SCHEMBL24027397 0.74 CTSS (0.36) KDM4ETAS2R14CTSSALDH1A1LMNA
SCHEMBL20399842 0.73 KDM4E (0.41) NT5EKDM4ETAS2R14CTSSALDH1A1
SCHEMBL24133935 0.73 KDM4E (0.36) KDM4ETAS2R14CTSSLMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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 (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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 NT5E 2347/4885KDM4E 1168/4885TAS2R14 1055/4885

“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.