SCHEMBL1476751

SCHEMBL1476751

CS(=O)(=O)Nc1cc(C#Cc2cncc(C#N)c2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.46
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
ACLY P53396 2/20 0.40
KDM1A O60341 2/20 0.37
PARP14 Q460N5 1/20 0.37
ALPL P05186 1/20 0.37
MAOA P21397 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HSD11B1 P28845 2/20 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
SCHEMBL1479478 0.86 KDR (0.42) SLC22A12KDRPDGFRBKDM1AMAOA
SCHEMBL29467983 0.84 ACLY (0.52) SLC22A12ACLYKDM1APARP14MAOA
SCHEMBL10208423 0.84 ACLY (0.52) SLC22A12ACLYKDM1APARP14MAOA
SCHEMBL1477160 0.83 GRM5 (0.44) SLC22A12KDRPDGFRBPTGDR2
SCHEMBL1479219 0.80 PIK3CG (0.42) KDRPDGFRBCYP11B1CYP11B2
SCHEMBL1477955 0.80 KDR (0.36) SLC22A12KDRPDGFRBALPLCYP11B1
SCHEMBL1477635 0.78 KDR (0.42) KDRPDGFRB
SCHEMBL1477152 0.78 CYP11B1 (0.36) KDRPDGFRBALPLCYP11B1CYP11B2
SCHEMBL1477677 0.77 KDR (0.41) KDRPDGFRBCYP11B1CYP11B2
SCHEMBL1477267 0.76 CYP11B1 (0.46) CYP11B1CYP11B2

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
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 SLC22A12 2145/4885KDR 4013/4885PDGFRB 2886/4885

“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.