SCHEMBL526900

SCHEMBL526900

COC(=O)c1nc(Cl)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
GBA1 P04062 1/20 0.46
HTT P42858 1/20 0.46
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
TP53 P04637 3/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL161315 0.83 SMN1; SMN2 (0.61) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15655480 0.82 MEN1 (0.59) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30629540 0.81 PLA2G2A (0.52) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22694433 0.81 MAOA (0.47) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27845960 0.81 MAOA (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4930522 0.81 KDM4E (0.50) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20352582 0.80 MAOA (0.45) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15654805 0.78 KDM4E (0.48) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28096085 0.78 SCN9A (0.52) KDM4EKMT2AGBA1TP53
SCHEMBL5381896 0.76 KDM4E (0.56) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
CN-103003250-B As the bicyclic nitrogen heterocycles methane amide of kinases P70S6K inhibitor MERCK PATENT GMBH (DE) 2016-02-17 CN disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
US-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP disclosed
CN-103228649-A Quinazoline carboxamide azetidines MERCK PATENT GMBH 2013-07-31 CN disclosed
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
CN-103003250-A Bicyclic azaheterocyclic carboxamides as inhibitors of the kinase p70s6k MERCK PATENT GMBH 2013-03-27 CN disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 WO disclosed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 KDM4E 426/4885MEN1 1123/4885KMT2A 178/4885

“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.