SCHEMBL407479

SCHEMBL407479

c1cc(Nc2ccc3c(c2)CCCC3)c2c3c([nH]c2n1)CCNC3

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
PTK6 Q13882 1/20 0.43
BPTF Q12830 2/20 0.36
SYK P43405 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
SCHEMBL407464 0.98 AURKA (0.46) AURKAADRA2AADRA2BADRA2CPTK6
SCHEMBL408777 0.82 AURKA (0.50) AURKAPTK6
SCHEMBL408411 0.81 AURKA (0.62) AURKA
SCHEMBL407996 0.81 AURKA (0.58) AURKAPTK6
SCHEMBL407482 0.81 AURKA (0.44) AURKAADRA2AADRA2BADRA2CPTK6
SCHEMBL408059 0.81 AURKA (0.49) AURKAPTK6
SCHEMBL409000 0.80 AURKA (0.48) AURKAPTK6
Hydrochloric Acid SCHEMBL408539 0.80 AURKA (0.43) AURKAADRA2AADRA2BADRA2CPTK6
Hydrochloric Acid SCHEMBL403430 0.80 AURKA (0.49) AURKAPTK6
Hydrochloric Acid SCHEMBL407997 0.79 AURKA (0.48) AURKAPTK6

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 AURKA 515/4885ADRA2A 2294/4885ADRA2B 2546/4885

“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.