SCHEMBL10139772

SCHEMBL10139772

CC(=O)N1CCc2[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.62
AURKB Q96GD4 6/20 0.56
MAPK13 O15264 1/20 0.56
CHEK2 O96017 1/20 0.56
NTRK1 P04629 1/20 0.56
RET P07949 1/20 0.56
HCK P08631 1/20 0.56
FGFR1 P11362 1/20 0.56
FLT4 P35916 1/20 0.56
LIMK1 P53667 1/20 0.56
SIK1 P57059 1/20 0.56
TNK2 Q07912 1/20 0.56
WNK3 Q9BYP7 1/20 0.56
BRD4 O60885 1/20 0.48
EP300 Q09472 1/20 0.48
CREBBP Q92793 1/20 0.48

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
SCHEMBL409485 0.91 CREBBP (0.57) AURKABRD4EP300CREBBP
SCHEMBL408492 0.86 AURKA (0.56) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL405109 0.85 CREBBP (0.59) AURKAAURKBBRD4EP300CREBBP
SCHEMBL407376 0.83 BAZ2B (0.47) BRD4EP300CREBBP
SCHEMBL3707014 0.82 AURKA (0.49) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL407064 0.80 AURKA (0.80) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL407556 0.80 BAZ2B (0.47) BRD4EP300CREBBP
SCHEMBL405018 0.80 CREBBP (0.49) AURKABRD4EP300CREBBP
SCHEMBL407222 0.80 CREBBP (0.61) AURKABRD4EP300CREBBP
SCHEMBL407838 0.79 BAZ2B (0.46) AURKAEP300CREBBP

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 7 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
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 515/4885AURKB 340/4885MAPK13 239/4885

“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.