SCHEMBL964746

SCHEMBL964746

Cc1ncn(-c2ccc(N)cc2C#N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 5/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
ALOX5AP P20292 3/20 0.41
ALDH1A1 P00352 4/20 0.41
USP2 O75604 2/20 0.41
NSD2 O96028 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL19812701 0.87 LMNA (0.48) KDM4ELMNAMAPTGAAALOX5AP
SCHEMBL18773501 0.85 ALOX5AP (0.39) KDM4EALOX5APALDH1A1NPC1RAB9A
SCHEMBL21030746 0.80 ALOX5AP (0.36) KDM4EALOX5APALDH1A1HPGDNPC1
SCHEMBL14321124 0.79 ALOX5AP (0.36) KDM4EALOX5AP
SCHEMBL14321145 0.79 ALOX5AP (0.36) KDM4EMAPTGAAALOX5APALDH1A1
SCHEMBL4832417 0.78 KDM4E (0.50) KDM4ELMNAMAPTALOX5APUSP2
SCHEMBL29878633 0.77 MAPT (0.39) KDM4ELMNAMAPTHSD17B10GAA
SCHEMBL19814290 0.77 MAPT (0.44) KDM4ELMNAMAPTHSD17B10GAA
SCHEMBL512436 0.77 MAPT (0.39) KDM4ELMNAMAPTHSD17B10GAA
SCHEMBL960058 0.77 ALOX5AP (0.37) KDM4EALOX5AP

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-3736277-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2020-11-11 EP disclosed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
CN-110312724-A SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS 陆品有限公司 2019-10-08 CN disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US disclosed
EP-3490995-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2019-06-05 EP disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
EP-3149001-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS Novartis AG (CH) 2017-04-05 EP disclosed
WO-2015181747-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2015-12-03 WO disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (7 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-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO KDM4E 2530/4885LMNA 4835/4885MAPT 2864/4885
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, CDR2, DBH KDM4E 4246/4885LMNA 1783/4885MAPT 394/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO KDM4E 2530/4885LMNA 4835/4885MAPT 2864/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 KDM4E 4459/4885LMNA 1290/4885MAPT 15/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 KDM4E 3265/4885LMNA 4214/4885MAPT 3131/4885
US-10647721-B2 Bicyclic heteroaryl derivatives HUWE1, CDR2, DBH KDM4E 4246/4885LMNA 1783/4885MAPT 394/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 KDM4E 3589/4885LMNA 3939/4885MAPT 3413/4885

“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.