SCHEMBL935325

SCHEMBL935325

O=c1[nH]c2ccccc2c(C=Cc2ccccn2)c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 9/20 0.62
▸ PDE2A O00408 1/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ PARP1 P09874 2/20 0.44
▸ PDE9A O76083 1/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL935324 1.00 PADI4 (0.62) PADI4PDE2ANPC1RAB9AKMT2A
SCHEMBL997352 0.82 PDE2A (0.77) PADI4PDE2ANPC1RAB9AKMT2A
SCHEMBL997354 0.82 PDE2A (0.77) PADI4PDE2ANPC1RAB9AKMT2A
SCHEMBL19952801 0.77 PADI4 (1.00) PADI4
SCHEMBL29612171 0.77 PADI4 (1.00) PADI4
SCHEMBL18157756 0.76 KMT2A (0.52) PADI4PDE2ANPC1RAB9AKMT2A
SCHEMBL18157765 0.73 ALK (0.50) PADI4NPC1RAB9AKMT2AMAPT
SCHEMBL18157747 0.73 ALK (0.50) PADI4NPC1RAB9AKMT2AMAPT
SCHEMBL28132803 0.71 MAPT (0.71) PADI4KMT2AMAPTPARP1PDE9A
SCHEMBL2681216 0.71 PDE2A (0.60) PADI4PDE2ANPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 — — EP claimed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 — — US claimed
EP-2456440-A1 QUINOLINONE PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-05-30 — — EP claimed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 — — US claimed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 — — WO claimed
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 — — EP disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 — — US disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 — — 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A PADI4 494/4885PDE2A 2/4885NPC1 3453/4885

“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.

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