SCHEMBL7110261

SCHEMBL7110261

Cc1ccccc1-c1cc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.47
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
POLQ O75417 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 1/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
PIK3CD O00329 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7111470 0.87 POLQ (0.56) GPBAR1PDGFRBFGFR1SRCPDGFRA
SCHEMBL905344 0.85 GPBAR1 (0.50) GPBAR1POLQKMT2AALOX5APFEN1
SCHEMBL5558301 0.85 GPBAR1 (0.50) GPBAR1POLQALDH1A1MAPTALOX5AP
SCHEMBL7112402 0.81 GPBAR1 (0.53) GPBAR1POLQALDH1A1TSHRKMT2A
SCHEMBL7111091 0.80 GPBAR1 (0.52) GPBAR1POLQPIK3CD
SCHEMBL7112604 0.79 L3MBTL1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7114202 0.77 LMNA (0.50) GPBAR1POLQALDH1A1TSHRMAPT
SCHEMBL7111709 0.76 TACR1 (0.54) ALDH1A1MAPTPIK3CDNPC1RAB9A
SCHEMBL7110905 0.74 GPBAR1 (0.53) GPBAR1ALDH1A1TSHRMAPTMEN1
SCHEMBL22573497 0.73 PDGFRB (0.45) PDGFRBFGFR1SRCPDGFRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103546-B1 Process for preparation of pyridine derivatives HOFFMANN LA ROCHE (CH) 2003-10-22 EP disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-6303790-B1 REACTING SUBSTITUTED NICOTINAMIDE WITH GRIGNARD REAGENT, OXIDIZING PRODUCT, REACTING WITH HALO-SUBSTITUTED AROMATIC COMPOUND HOFFMAN-LA ROCHE INC. 2001-10-16 US disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1103546-A1 Process for preparation of pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-05-30 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-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS GPBAR1 327/4885PDGFRB 2844/4885FGFR1 2293/4885

“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.