SCHEMBL1476690

SCHEMBL1476690

CC(=O)NCc1cc(C#Cc2cncc(C#N)c2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.48
PDCD1 Q15116 7/20 0.40
CD274 Q9NZQ7 7/20 0.40
EGLN2 Q96KS0 1/20 0.37
VNN1 O95497 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL1477482 0.86 SETDB1 (0.38) SETDB1FFAR1FFAR4SCN2ASCN10A
SCHEMBL1477609 0.85 SLC6A4 (0.41) VNN1
SCHEMBL1477920 0.85 JAK2 (0.39) SETDB1EGLN2FFAR1FFAR4
SCHEMBL1477044 0.82 PDCD1 (0.40) PDCD1CD274VNN1
SCHEMBL1477955 0.81 KDR (0.36)
SCHEMBL1477199 0.81 DPP4 (0.38) EGLN2VNN1
SCHEMBL1477378 0.80 DPP4 (0.37) PDCD1CD274
SCHEMBL1477264 0.80 CYP11B1 (0.40) VNN1
SCHEMBL1479219 0.80 PIK3CG (0.42) EGLN2
SCHEMBL1478207 0.78 CYP11B1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 WO 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 SETDB1 4171/4885PDCD1 4580/4885CD274 3916/4885

“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.