SCHEMBL407463

SCHEMBL407463

COc1cccc(Nc2cnc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.55
EP300 Q09472 2/20 0.51
CREBBP Q92793 2/20 0.51
MAPT P10636 1/20 0.45
BAZ2B Q9UIF8 1/20 0.43
CFTR P13569 4/20 0.43
TGFBR1 P36897 1/20 0.42
P2RX3 P56373 1/20 0.41
ROCK2 O75116 1/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.40
MGAT2 Q10469 1/20 0.40
DGAT2 Q96PD7 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
SCHEMBL409364 0.91 MAPT (0.55) MKNK1EP300CREBBPMAPTBAZ2B
SCHEMBL406798 0.87 MAPT (0.45) MKNK1MAPTBAZ2BCFTR
SCHEMBL18106974 0.86 EP300 (0.43) MKNK1EP300CREBBPBAZ2BCFTR
SCHEMBL407207 0.86 MAPT (0.49) MKNK1MAPTCFTRTGFBR1P2RX3
SCHEMBL404753 0.79 BAZ2B (0.48) MKNK1MAPTBAZ2BCFTR
SCHEMBL30667649 0.78 MAPT (0.46) MKNK1MAPTBAZ2BCFTRP2RX3
SCHEMBL18106971 0.78 MAPT (0.42) MKNK1EP300CREBBPMAPTBAZ2B
SCHEMBL10139880 0.77 MEN1 (0.56) EP300CREBBPMAPTBAZ2B
SCHEMBL30228575 0.76 BAZ2B (0.74) BAZ2BCFTRKDR
SCHEMBL21114768 0.76 BAZ2B (0.61) MAPTBAZ2BCFTRKDR

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 MKNK1 54/4885EP300 473/4885CREBBP 565/4885

“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.