SCHEMBL405037

SCHEMBL405037

c1ccc2c(Nc3ccnc4[nH]c5c(c34)CNCC5)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
AURKA O14965 6/20 0.44
ERBB2 P04626 4/20 0.42
PARP1 P09874 1/20 0.40
PDE4B Q07343 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PTK6 Q13882 2/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ACVR1 Q04771 1/20 0.37
ALK Q9UM73 1/20 0.37
AURKC Q9UQB9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR5A P47898 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL407996 0.82 AURKA (0.58) TAAR1AURKAERBB2PTK6EGFR
SCHEMBL10172210 0.81 AURKA (0.43) AURKAERBB2PTK6EGFR
SCHEMBL408777 0.81 AURKA (0.50) TAAR1AURKAERBB2PTK6EGFR
SCHEMBL10171513 0.80 AURKA (0.46) TAAR1AURKAERBB2PARP1HTR2A
Hydrochloric Acid SCHEMBL409054 0.80 AURKA (0.43) TAAR1AURKAERBB2PTK6EGFR
Hydrochloric Acid SCHEMBL408995 0.79 AURKA (0.45) TAAR1AURKAPARP1
SCHEMBL407221 0.78 AURKA (0.50) AURKAERBB2ALK
SCHEMBL10172209 0.78 AURKA (0.43) TAAR1AURKAERBB2PTK6
Hydrochloric Acid SCHEMBL408981 0.77 AURKA (0.42) TAAR1AURKAERBB2PTK6
SCHEMBL18117609 0.77 AURKA (0.39) TAAR1AURKAERBB2PTK6EGFR

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 5 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
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
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

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 515/4885ERBB2 373/4885

“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.