SCHEMBL408037

SCHEMBL408037

Clc1ccnc2[nH]c3c(c12)CNCC3

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
AURKA O14965 4/20 0.40
AURKB Q96GD4 1/20 0.40
SOS1 Q07889 1/20 0.38
PNMT P11086 5/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PARP1 P09874 1/20 0.38
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
DAO P14920 1/20 0.35

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 SCHEMBL409011 0.98 TAAR1 (0.47) TAAR1AURKAAURKBSOS1PNMT
SCHEMBL406714 0.75 AURKA (0.41) TAAR1AURKAPARP1
SCHEMBL407996 0.75 AURKA (0.58) TAAR1AURKAAURKB
SCHEMBL4790185 0.74 TAAR1 (0.60) TAAR1SOS1PNMTADRA2AADRA2B
SCHEMBL10171513 0.73 AURKA (0.46) TAAR1AURKAADRA2AADRA2BADRA2C
SCHEMBL408411 0.73 AURKA (0.62) AURKAAURKBPARP1
SCHEMBL408118 0.73 EPHB4 (0.44)
Hydrochloric Acid SCHEMBL408995 0.72 AURKA (0.45) TAAR1AURKAADRA2AADRA2BADRA2C
SCHEMBL407352 0.72 AURKA (0.43) TAAR1AURKA
SCHEMBL961368 0.72 TAAR1 (0.55) TAAR1AURKAPARP1RAD52KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO 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 TAAR1 2337/4885AURKA 515/4885AURKB 340/4885

“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.