SCHEMBL5555768

SCHEMBL5555768

Cc1ccccc1-c1cc(O)ncc1C#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
TSHR P16473 1/20 0.43
FNTA P49354 4/20 0.41
FNTB P49356 4/20 0.41
PGGT1B P53609 4/20 0.41
AR P10275 1/20 0.41
LMNA P02545 1/20 0.39
IMPDH2 P12268 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
SCHEMBL5555501 0.81 GPBAR1 (0.45) LRRK2TSHRFNTAFNTBPGGT1B
SCHEMBL14379734 0.79 ALDH1A1 (0.50) LRRK2
SCHEMBL11744305 0.76 S1PR2 (0.40) LRRK2TSHR
SCHEMBL1399326 0.73 CYP1A2 (0.56) TSHRLMNA
SCHEMBL29514489 0.73 CYP1A2 (0.56) TSHRLMNA
SCHEMBL1399302 0.72 CNR2 (0.50) LRRK2TSHR
SCHEMBL1472952 0.72 TSHR (0.67) LRRK2TSHRARLMNA
SCHEMBL3175405 0.71 NPC1 (0.41) TSHR
SCHEMBL18406703 0.70 FNTA (0.50) LRRK2TSHRFNTAFNTBPGGT1B
SCHEMBL7572084 0.69 PLA2G7 (0.49) LRRK2TSHRFNTAFNTBPGGT1B

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
US-20050014792-A1 Process for preparation of pyridine derivatives ROCHE PALO ALTO LLC 2005-01-20 US claimed
EP-1656351-B1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-7288658-B2 Process for preparation of pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-10-30 US disclosed
EP-1656351-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005014549-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2005-02-17 WO disclosed
US-20050014792-A1 Process for preparation of pyridine derivatives ROCHE PALO ALTO LLC 2005-01-20 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 (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-20050014792-A1 Process for preparation of pyridine derivatives NOX3, KMO, PBK LRRK2 4689/4885TSHR 2144/4885FNTA 4548/4885

“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.