SCHEMBL1476600

SCHEMBL1476600

C#Cc1ncccc1C(C)=NOC.c1cc2cc-2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33
RORB Q92753 1/20 0.32
DHODH Q02127 2/20 0.31
HIF1A Q16665 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MET P08581 4/20 0.31
PLCG1 P19174 1/20 0.31

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
Hydrochloric Acid SCHEMBL1476497 0.99 ADRA1A (0.33) ADRA1ARORBDHODHHIF1ADYRK1A
SCHEMBL1477495 0.85 KDM4E (0.38) RORB
Hydrochloric Acid SCHEMBL1477559 0.84 KDM4E (0.37) RORB
SCHEMBL1477295 0.79 RORB (0.38) RORBDHODHCLK4PLCG1
SCHEMBL1477041 0.78 TDP1 (0.45) DHODHPLCG1
Hydrochloric Acid SCHEMBL1477231 0.77 TDP1 (0.44) DHODHPLCG1
SCHEMBL835282 0.75 KDM4E (0.47) RORBDHODH
SCHEMBL1477415 0.74 PLCG1 (0.37) RORBDHODHPLCG1
SCHEMBL1476510 0.74 TRPM8 (0.37) RORBDHODHPLCG1
SCHEMBL1479640 0.73 PARP1 (0.47) RORB

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 ADRA1A 363/4885RORB 1569/4885DHODH 2249/4885

“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.