SCHEMBL528517

SCHEMBL528517

CCOC(=O)c1cnc2c(C#N)cccc2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6195619 0.87 KMT2A (0.47) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2020438 0.84 KMT2A (0.71) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2017369 0.84 KMT2A (0.71) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2021172 0.83 KMT2A (0.70) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL6289957 0.81 KMT2A (0.68) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL11244456 0.81 MEN1 (0.68) KMT2AMEN1KDM4EHTTMAPT
SCHEMBL6537339 0.81 KMT2A (0.68) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL6293263 0.81 KMT2A (0.68) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL2719292 0.81 KMT2A (0.68) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL528848 0.81 HAVCR2 (0.49) KMT2AMEN1RAB9AKDM4EPOLB

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
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 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 (3 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-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA KMT2A 105/4885MEN1 563/4885NPC1 3168/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA KMT2A 105/4885MEN1 563/4885NPC1 3168/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA KMT2A 105/4885MEN1 563/4885NPC1 3168/4885

“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.