SCHEMBL1282296

SCHEMBL1282296

N/C(=C(\N)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.58
RECQL P46063 2/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
CYP2C19 P33261 2/20 0.58
F2 P00734 1/20 0.58
F10 P00742 1/20 0.58
F12 P00748 1/20 0.58
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
PKM P14618 1/20 0.58
CYP3A4 P08684 1/20 0.58
PARP1 P09874 1/20 0.58
PMP22 Q01453 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 2/20 0.52
PRSS1 P07477 2/20 0.52

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
SCHEMBL38341 1.00 BLM (0.58) BLMRECQLTSHRPOLBMAPT
SCHEMBL1766180 1.00 BLM (0.58) BLMRECQLTSHRPOLBMAPT
SCHEMBL1774314 0.97 BLM (0.55) BLMRECQLTSHRPOLBMAPT
Hydrochloric Acid SCHEMBL4620960 0.97 BLM (0.60) BLMRECQLTSHRPOLBMAPT
SCHEMBL30465109 0.97 BLM (0.55) BLMRECQLTSHRPOLBMAPT
SCHEMBL11303275 0.88 BLM (0.48) BLMRECQLTSHRPOLBMAPT
Dimethylamine SCHEMBL2949614 0.88 TSHR (0.48) BLMRECQLTSHRPOLBMAPT
SCHEMBL2143138 0.87 TSHR (0.52) BLMRECQLTSHRPOLBMAPT
Sulfuric Acid SCHEMBL8015543 0.86 MAPT (0.52) BLMRECQLTSHRPOLBMAPT
Sulfuric Acid SCHEMBL7009472 0.86 MAPT (0.52) BLMRECQLTSHRPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251071-A1 METHOD TO MAKE SMALL-MOLECULE MURINE DOUBLE MINUTE 2 PROTEIN (MDM2)-DEGRADING COMPOUNDS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WISCONSIN ALUMNI RESEARCH FOUNDATION 2022-08-11 US disclosed
WO-2020232115-A1 BIFUNCTIONAL NUTLIN-LENALIDOMIDE DERIVATIVES ((4,5-DIHYDRO-1H-IMIDAZOLE-1-CARBONYL)PIPERAZIN-1-YL-[LINKER]-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES) AS MDM2 DEGRADERS AND MDM2-P53 INHIBITORS FOR USE IN CANCER THERAPY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-11-19 WO disclosed
EP-2718978-B1 ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2018-05-16 EP disclosed
EP-2776387-B1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION UNIV EMORY (US) 2017-02-01 EP disclosed
US-9142781-B2 Compound for organic electronic device NOVALED AG (DE) 2015-09-22 US disclosed
US-8889863-B2 Stereoselective methods, catalysts and intermediates for the synthesis of (−)-Nutlin-3 and related compounds VANDERBILT UNIVERSITY (US) 2014-11-18 US disclosed
US-20140174537-A1 Compound for Organic Electronic Device NOVALED AG (DE) 2014-06-26 US disclosed
US-8329903-B2 Light-emitting element including organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-11 US disclosed
US-8329903-B2 Light-emitting element including organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-11 US disclosed
US-20120123117-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-17 US disclosed
US-20120123117-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-17 US disclosed
US-20120088915-A1 STEREOSELECTIVE METHODS, CATALYSTS AND INTERMEDIATES FOR THE SYNTHESIS OF (-)-NUTLIN-3 AND RELATED COMPOUNDS VANDERBILT UNIVERSITY 2012-04-12 US disclosed
US-8101755-B2 Organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101755-B2 Organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-7850992-B2 Cucurbituril-containing gel and method of preparing the same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-12-14 US disclosed
US-20100105902-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-04-29 US disclosed
US-20100105902-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-04-29 US disclosed
US-20070154553-A1 CUCURBITURIL-CONTAINING GEL AND METHOD OF PREPARING THE SAME POSTECH FOUNDATION (KR) 2007-07-05 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 (5 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-20100105902-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex CRY1, CRY2, LAGE3 BLM 1244/4885RECQL 819/4885TSHR 3199/4885
US-20120088915-A1 STEREOSELECTIVE METHODS, CATALYSTS AND INTERMEDIATES FOR THE SYNTHESIS OF (-)-NUTLIN-3 AND RELATED COMPOUNDS NUTF2, MDM2, CIAPIN1 BLM 1434/4885RECQL 1911/4885TSHR 4558/4885
US-20120123117-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex CRY1, CRY2, LAGE3 BLM 1244/4885RECQL 819/4885TSHR 3199/4885
US-20070154553-A1 CUCURBITURIL-CONTAINING GEL AND METHOD OF PREPARING THE SAME CCNA1, CBX6, CCNL2 BLM 1396/4885RECQL 696/4885TSHR 4741/4885
US-20220251071-A1 METHOD TO MAKE SMALL-MOLECULE MURINE DOUBLE MINUTE 2 PROTEIN (MDM2)-DEGRADING COMPOUNDS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MDM2, TP53, MYCBP2 BLM 984/4885RECQL 654/4885TSHR 4583/4885

“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.