SCHEMBL2113726

SCHEMBL2113726

Cc1cc(N2C(=O)c3ccccc3C2=O)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALPL P05186 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL30475298 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAALPL
SCHEMBL3051213 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAALPL
SCHEMBL30645638 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1396210 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAALPL
SCHEMBL17627048 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL16479224 0.76 ALOX15 (0.51) ALDH1A1HSD17B10ALPLSMN1; SMN2MAPK1
SCHEMBL30316663 0.75 ALPL (0.39) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL14858215 0.74 CCNA2 (0.42) ALDH1A1ALPL
SCHEMBL29562157 0.73 RECQL (0.62) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5026395 0.73 RECQL (0.62) MEN1KMT2AALDH1A1KDM4EGAA

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-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 US disclosed
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 US disclosed
US-9751865-B2 Dihydro-hydantoin derivatives with herbicidal activity SYNGENTA LIMITED (GB) 2017-09-05 US disclosed
US-9605004-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-03-28 US disclosed
US-20160375006-A1 USES OF PARALOG-SELECTIVE INHIBITORS OF GSK3 KINASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-29 US disclosed
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY SYNGENTA LIMITED (GB) 2016-11-03 US disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
US-20160159819-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-09 US disclosed
US-9096594-B2 Kinase inhibitors and methods of use thereof THE BROAD INSTITUTE, INC. (US) 2015-08-04 US disclosed
US-20140107141-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2014-04-17 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 US disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009010560-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-01-22 WO disclosed
WO-2009010560-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-01-22 WO disclosed
WO-2008074833-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed
WO-2008074832-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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 (8 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-20140107141-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF GSK3B, GSK3A, CSNK1A1 MEN1 2029/4885KMT2A 756/4885ALDH1A1 1328/4885
US-20160168126-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 MEN1 3215/4885KMT2A 1822/4885ALDH1A1 326/4885
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY RDX, DDT, CBR3 MEN1 3776/4885KMT2A 1259/4885ALDH1A1 96/4885
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF SQLE, HCCS, DHPS MEN1 518/4885KMT2A 4045/4885ALDH1A1 1276/4885
US-20160375006-A1 USES OF PARALOG-SELECTIVE INHIBITORS OF GSK3 KINASES GSK3B, GSK3A, GSKIP MEN1 3187/4885KMT2A 732/4885ALDH1A1 3573/4885
US-20160159819-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 MEN1 3279/4885KMT2A 2070/4885ALDH1A1 237/4885
US-20100048617-A1 COMPOUNDS SCD, SCD5, CYP11B2 MEN1 3487/4885KMT2A 3757/4885ALDH1A1 603/4885
US-20100022486-A1 COMPOUNDS SCD, CYP11B2, SCD5 MEN1 3580/4885KMT2A 3791/4885ALDH1A1 507/4885

“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.