SCHEMBL405825

SCHEMBL405825

COc1ccc(Nc2ccnc3[nH]c4c(c23)CNCC4)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 2/20 0.55
AURKA O14965 7/20 0.50
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HTT P42858 1/20 0.42
PTGIR P43119 3/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 2/20 0.40
RAD52 P43351 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.39
NISCH Q9Y2I1 1/20 0.39

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
SCHEMBL408411 0.85 AURKA (0.62) AURKAERBB2
SCHEMBL407996 0.84 AURKA (0.58) PTK6AURKAERBB2
SCHEMBL408777 0.81 AURKA (0.50) PTK6AURKAERBB2
SCHEMBL10172210 0.81 AURKA (0.43) PTK6AURKALMNANPC1MAPT
Hydrochloric Acid SCHEMBL409054 0.80 AURKA (0.43) PTK6AURKALMNANPC1MAPT
SCHEMBL408059 0.79 AURKA (0.49) PTK6AURKA
SCHEMBL407464 0.79 AURKA (0.46) PTK6AURKAADRA2AADRA2BADRA2C
SCHEMBL407479 0.79 AURKA (0.46) PTK6AURKAADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL403430 0.78 AURKA (0.49) PTK6AURKA
SCHEMBL407482 0.77 AURKA (0.44) PTK6AURKAADRA2AADRA2BADRA2C

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 11 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
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
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 PTK6 401/4885AURKA 515/4885ADRA2A 2294/4885

“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.