SCHEMBL407482

SCHEMBL407482

c1cc(Nc2ccc3c(c2)OCO3)c2c3c([nH]c2n1)CCNC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.44
CLK1 P49759 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
CLK2 P49760 1/20 0.42
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
LMNA P02545 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
FYN P06241 1/20 0.37

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 SCHEMBL408539 0.99 AURKA (0.43) AURKACLK1DYRK1ACLK4DYRK1B
SCHEMBL407464 0.81 AURKA (0.46) AURKAADRA2AADRA2BADRA2CPTK6
SCHEMBL407479 0.81 AURKA (0.46) AURKAADRA2AADRA2BADRA2CPTK6
SCHEMBL408777 0.81 AURKA (0.50) AURKAPTK6
SCHEMBL408411 0.80 AURKA (0.62) AURKA
SCHEMBL408118 0.80 EPHB4 (0.44)
SCHEMBL407996 0.79 AURKA (0.58) AURKAPTK6
SCHEMBL408059 0.79 AURKA (0.49) AURKATYK2PTK6
SCHEMBL409000 0.78 AURKA (0.48) AURKAPTK6
Hydrochloric Acid SCHEMBL403430 0.78 AURKA (0.49) AURKATYK2PTK6

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 claimed
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 AURKA 515/4885CLK1 1170/4885DYRK1A 420/4885

“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.