SCHEMBL667365

SCHEMBL667365

NC(=O)c1ccc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 16/20 0.84
PDPK1 O15530 13/20 0.84
AURKA O14965 5/20 0.82
AURKB Q96GD4 3/20 0.82
CHEK1 O14757 4/20 0.62

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
SCHEMBL667366 1.00 RPS6KB1 (0.84) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL665369 0.91 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL665370 0.91 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL667402 0.90 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL667260 0.90 RPS6KB1 (0.80) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL16476093 0.90 RPS6KB1 (0.80) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL667401 0.90 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL667617 0.89 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL16460306 0.89 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1
SCHEMBL667121 0.89 RPS6KB1 (1.00) RPS6KB1PDPK1AURKAAURKBCHEK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US 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 (2 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC RPS6KB1 500/4885PDPK1 2787/4885AURKA 600/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC RPS6KB1 500/4885PDPK1 2787/4885AURKA 600/4885

“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.