SCHEMBL406603

SCHEMBL406603

O=C(c1ccc(F)cc1)N1CCc2[nH]c3nccc(Nc4ccccc4)c3c2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.50
AURKB Q96GD4 2/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRA2 P47869 2/20 0.46
KCNK3 O14649 1/20 0.42
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL3707014 0.86 AURKA (0.49) AURKAAURKBEP300CREBBP
SCHEMBL408109 0.84 ERBB2 (0.47) AURKAAURKB
SCHEMBL405109 0.84 CREBBP (0.59) AURKAAURKBEP300CREBBP
SCHEMBL409485 0.84 CREBBP (0.57) AURKAEP300CREBBP
SCHEMBL407222 0.79 CREBBP (0.61) AURKAEP300CREBBP
SCHEMBL408492 0.79 AURKA (0.56) AURKAAURKB
SCHEMBL10139772 0.78 AURKA (0.62) AURKAAURKBEP300CREBBP
SCHEMBL407681 0.77 NPC1 (0.52) AURKA
SCHEMBL407838 0.75 BAZ2B (0.46) AURKAEP300CREBBP
SCHEMBL404193 0.74 ACVRL1 (0.47) 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 12 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
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-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
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 515/4885AURKB 340/4885CDK4 44/4885

“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.