SCHEMBL407352

SCHEMBL407352

c1ccc(CNc2ccnc3[nH]c4c(c23)CNCC4)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.43
EGFR P00533 3/20 0.42
IGF1R P08069 3/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
UTS2R Q9UKP6 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CDC7 O00311 1/20 0.40
ACHE P22303 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PKM P14618 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
BACE1 P56817 1/20 0.37
VCP P55072 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
SCHEMBL407996 0.81 AURKA (0.58) AURKAEGFRFLT4TAAR1
SCHEMBL10171513 0.77 AURKA (0.46) AURKATAAR1HTR2C
Hydrochloric Acid SCHEMBL408995 0.76 AURKA (0.45) AURKATAAR1
SCHEMBL405037 0.74 TAAR1 (0.44) AURKAEGFRTAAR1HTR2C
SCHEMBL407224 0.74 PTK2 (0.57)
SCHEMBL10172210 0.74 AURKA (0.43) AURKAEGFR
SCHEMBL408777 0.74 AURKA (0.50) AURKAEGFRTAAR1
Hydrochloric Acid SCHEMBL409054 0.73 AURKA (0.43) AURKAEGFRTAAR1
SCHEMBL408037 0.72 TAAR1 (0.44) AURKATAAR1
SCHEMBL408411 0.72 AURKA (0.62) AURKA

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 AURKA 515/4885EGFR 1939/4885IGF1R 2396/4885

“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.