SCHEMBL407996

SCHEMBL407996

c1ccc(Nc2ccnc3[nH]c4c(c23)CNCC4)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.58
EGFR P00533 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ERBB2 P04626 3/20 0.42
AURKB Q96GD4 2/20 0.41
PTK6 Q13882 4/20 0.40
SRC P12931 1/20 0.40
ACVR1 Q04771 1/20 0.40
ALK Q9UM73 1/20 0.40
AURKC Q9UQB9 1/20 0.40
MAPK13 O15264 1/20 0.40
CHEK2 O96017 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT4 P35916 1/20 0.40
LIMK1 P53667 1/20 0.40
SIK1 P57059 1/20 0.40
TNK2 Q07912 1/20 0.40

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 0.88 AURKA (0.62) AURKAERBB2AURKB
SCHEMBL407064 0.86 AURKA (0.80) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL409000 0.86 AURKA (0.48) AURKAEGFRERBB2AURKBPTK6
SCHEMBL408777 0.86 AURKA (0.50) AURKAEGFRTAAR1ERBB2AURKB
SCHEMBL10171513 0.85 AURKA (0.46) AURKATAAR1ERBB2
Hydrochloric Acid SCHEMBL407997 0.85 AURKA (0.48) AURKAEGFRERBB2AURKBPTK6
SCHEMBL405825 0.84 PTK6 (0.55) AURKAERBB2PTK6
Hydrochloric Acid SCHEMBL408995 0.84 AURKA (0.45) AURKATAAR1
SCHEMBL407572 0.83 PTK6 (0.59) AURKAEGFRPTK6
Hydrochloric Acid SCHEMBL409150 0.82 PTK6 (0.58) AURKAEGFRPTK6

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 14 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
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 515/4885EGFR 1939/4885TAAR1 2337/4885

“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.