SCHEMBL1476737

SCHEMBL1476737

C#Cc1ncccc1OC.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GRM5 P41594 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
KDR P35968 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2E1 P05181 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP4B1 P13584 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP3A5 P20815 2/20 0.38
CYP2A7 P20853 2/20 0.38
CYP3A7 P24462 2/20 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
SCHEMBL31543924 0.90 PLAU (0.43) PDGFRBPDGFRAGRM5ASIC3SYK
SCHEMBL1477483 0.78 CYP2A6 (0.40) GRM5KDRCYP2A6MAPK10PLAU
SCHEMBL1477450 0.77 KDM4E (0.38) DYRK1ACLK4GRM5KDRCYP1A1
Hydrochloric Acid SCHEMBL1477173 0.77 CYP2A6 (0.39) GRM5KDRCYP2A6MAPK10
SCHEMBL1477713 0.76 RORB (0.37) CLK4GRM5CYP3A4RAB9AMEN1
Hydrochloric Acid SCHEMBL1476938 0.76 KDM4E (0.38) DYRK1ACLK4GRM5KDRCYP1A1
SCHEMBL1477041 0.75 TDP1 (0.45) GRM5MEN1KMT2AL3MBTL1
SCHEMBL1476448 0.75 NFE2L2 (0.33) CLK4GRM5MAPK10RAB9ANPC1
SCHEMBL1476408 0.75 MEN1 (0.35) CLK4GRM5CYP1A2CYP3A4RAB9A
SCHEMBL1477049 0.75 CYP2A6 (0.33) CLK4GRM5CYP1A2CYP2A6CYP2C19

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 PDGFRB 2886/4885PDGFRA 3024/4885DYRK1A 2854/4885

“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.