SCHEMBL409037

SCHEMBL409037

CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c4c(c23)CNCC4)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
IKBKB O14920 13/20 0.38
CHUK O15111 13/20 0.38
DRD1 P21728 1/20 0.37
ROCK1 Q13464 1/20 0.36
CDK9 P50750 1/20 0.36
CYP2C9 P11712 1/20 0.35
NEK1 Q96PY6 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL406714 0.80 AURKA (0.41) CDK9TAAR1
SCHEMBL408122 0.78 BAZ2B (0.59) CDK9
SCHEMBL31240764 0.71 JAK2 (0.41) ROCK1TAAR1
SCHEMBL6518918 0.70 AURKA (0.50) IKBKBCHUKDRD1ROCK1NEK1
SCHEMBL6883075 0.69 TNNI3K (0.62)
SCHEMBL408037 0.69 TAAR1 (0.44) PNMTTAAR1
Hydrochloric Acid SCHEMBL409011 0.68 TAAR1 (0.47) PNMTTAAR1
SCHEMBL407221 0.64 AURKA (0.50)
SCHEMBL407996 0.64 AURKA (0.58) TAAR1
SCHEMBL11358107 0.63 TAAR1 (0.55) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US claimed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US claimed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 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-20120022060-A1 Tricyclic Azaindoles AZI2, DCK, PPP2CA PNMT 661/4885IKBKB 346/4885CHUK 142/4885

“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.