SCHEMBL407837

SCHEMBL407837

COc1cccc(CN2CCc3[nH]c4ncc(Cl)cc4c3C2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.61
KMT2A Q03164 2/20 0.58
GABRA1 P14867 1/20 0.49
GABRA2 P47869 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
CLPP Q16740 1/20 0.48
MCHR1 Q99705 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL408994 0.82 CLPP (0.53) ACHEKMT2ACLPPMEN1GAA
SCHEMBL409117 0.78 MAPT (0.45) MAPT
SCHEMBL10139855 0.78 CDK4 (0.52) KMT2AMAPTMEN1GAA
Hydrochloric Acid SCHEMBL406799 0.77 CDK4 (0.51) KMT2AMAPTMEN1GAA
SCHEMBL10139880 0.77 MEN1 (0.56) KMT2AMAPTMEN1GAA
SCHEMBL11208411 0.76 ACHE (1.00) ACHEKMT2ADRD2DRD4DRD3
SCHEMBL18106977 0.75 LIMK2 (0.43) KMT2AMAPTMEN1GAA
Hydrochloric Acid SCHEMBL7137005 0.75 ACHE (0.98) ACHEDRD2DRD4DRD3HDAC1
SCHEMBL407032 0.73 ACHE (0.46) ACHESIGMAR1
SCHEMBL22915892 0.73 KMT2A (0.55) ACHEKMT2AGABRA1GABRA2DRD2

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 14 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-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO 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-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
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 ACHE 4325/4885KMT2A 1887/4885GABRA1 1988/4885

“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.