SCHEMBL1609695

SCHEMBL1609695

COc1cc2sc(C3CN(C=O)CCO3)c(Cl)c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.37
PDE10A Q9Y233 5/20 0.37
PDE4D Q08499 3/20 0.34
PDE4B Q07343 1/20 0.34
DRD4 P21917 3/20 0.30
ERBB2 P04626 1/20 0.30
EPHA2 P29317 1/20 0.30
KDR P35968 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1608961 0.89 PDE10A (0.35) STING1PDE10APDE4DPDE4B
SCHEMBL15347806 0.70 GSK3B (0.45) PDE10APDE4B
SCHEMBL3367365 0.68 COMT (0.32)
SCHEMBL14994640 0.67 PDE4B (0.35) PDE10APDE4DPDE4BDRD4
SCHEMBL2403696 0.65 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL14994003 0.64 CFTR (0.43) PDE10APDE4DPDE4BDRD4
SCHEMBL4983095 0.64 PDE4B (0.42) PDE10APDE4B
SCHEMBL7388558 0.64 STING1 (0.48) STING1
SCHEMBL1608941 0.64 HPGD (0.58) STING1
SCHEMBL3367487 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 STING1 4828/4885PDE10A 177/4885PDE4D 433/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 STING1 4840/4885PDE10A 278/4885PDE4D 342/4885

“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.