SCHEMBL421987

SCHEMBL421987

Nc1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 1.00
NUDT1 P36639 4/20 1.00
SCN9A Q15858 1/20 0.64
DCPS Q96C86 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
Hydrochloric Acid SCHEMBL27344186 0.98 ADORA2A (0.96) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL12281655 0.96 ADORA2A (0.92) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL3029368 0.89 ADORA2A (0.79) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL30979893 0.87 ADORA2A (0.77) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL23760187 0.83 ADORA2A (0.71) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL27758585 0.83 ADORA2A (0.71) ADORA2ANUDT1SCN9AMEN1KMT2A
SCHEMBL29368486 0.83 ADORA2A (1.00) ADORA2ANUDT1SCN9AMAPTALDH1A1
SCHEMBL16614075 0.83 ADORA2A (0.70) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL17959853 0.82 ADORA2A (0.69) ADORA2ANUDT1SCN9A
SCHEMBL24287260 0.82 ADORA2A (0.73) ADORA2ANUDT1SCN9ADCPSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432205-A Method for synthesizing lapatinib or intermediate thereof 成都美睿科生物科技有限公司 2017-02-22 CN claimed
CN-106316965-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2017-01-11 CN claimed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US claimed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO claimed
US-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK KGAA (DE) 2022-06-09 US disclosed
US-11339132-B2 Compound for organic electric element, organic electric element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-05-24 US disclosed
US-20220029108-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-01-27 US disclosed
EP-3663283-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION SAMSUNG DISPLAY CO LTD (KR) 2021-11-03 EP disclosed
US-20210198214-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-07-01 US disclosed
US-10934293-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-03-02 US disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed
US-10680183-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-09 US disclosed
US-20080214586-A1 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2008-09-04 US disclosed
CN-101180278-A 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2008-05-14 CN disclosed
CN-101180278-A 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2008-05-14 CN disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
CN-1229142-C Compositions comprising NSAIDs and EFGR kinase inhibitors for the treatment or inhibition of colonic polyps and colorectal cancer AMERICAN CYANAMID CO (US) 2005-11-30 CN disclosed
CN-1370080-A NSAID and EFGR kinase inhibitor contg. compsn. for treatment or inhibition of colonic polyps and colorectal cancer AMERICAN CYANAMID CO (US) 2002-09-18 CN disclosed
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN 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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO ADORA2A 4510/4885NUDT1 2116/4885SCN9A 2504/4885
US-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ADORA2A 3327/4885NUDT1 206/4885SCN9A 1272/4885
US-10934293-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OPA1 ADORA2A 4154/4885NUDT1 499/4885SCN9A 4284/4885
US-10680183-B2 Organic electroluminescent materials and devices PNMT, CYCS, NES ADORA2A 1546/4885NUDT1 1378/4885SCN9A 3519/4885
US-20080214586-A1 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators HSP90AB2P, HSP90AB1, HSP90AA1 ADORA2A 2930/4885NUDT1 3458/4885SCN9A 3118/4885
US-20210198214-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, OR10J3 ADORA2A 4777/4885NUDT1 1905/4885SCN9A 321/4885
US-11339132-B2 Compound for organic electric element, organic electric element comprising the same, and electronic device thereof PIEZO1, OCIAD1, OR10J3 ADORA2A 4777/4885NUDT1 1905/4885SCN9A 321/4885

“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.