SCHEMBL2931498

SCHEMBL2931498

Nc1n[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
PDPK1 O15530 2/20 0.51
DAO P14920 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 1/20 0.51
CYP3A4 P08684 2/20 0.50
NOS1 P29475 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
PARP1 P09874 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR35 Q9HC97 1/20 0.48
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47

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
SCHEMBL29431208 1.00 JAK2 (0.51) JAK2PDPK1DAOTDP1ALDH1A1
SCHEMBL6478420 0.87 JAK2 (0.62) JAK2PDPK1MAPTHPGDLMNA
SCHEMBL757425 0.86 MAPT (0.63) JAK2PDPK1TDP1ALDH1A1MAPT
SCHEMBL921416 0.83 DAO (0.51) DAOTDP1ALDH1A1MAPTHPGD
SCHEMBL30833662 0.83 DAO (0.51) DAOTDP1ALDH1A1MAPTHPGD
SCHEMBL2595091 0.81 MAPT (0.50) DAOTDP1ALDH1A1MAPTHPGD
SCHEMBL1176140 0.81 MAPT (0.50) DAOTDP1ALDH1A1MAPTHPGD
SCHEMBL588431 0.81 PARP1 (0.51) DAOTDP1ALDH1A1MAPTHPGD
SCHEMBL445096 0.81 MAPT (0.50) DAOTDP1ALDH1A1MAPTHPGD
SCHEMBL2926701 0.81 MAPT (0.50) DAOTDP1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US disclosed
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 EP disclosed
CN-113896744-A Selective EGFR inhibitor 成都先导药物开发股份有限公司 2022-01-07 CN disclosed
CN-113710667-A Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases 爱尔兰詹森科学公司 2021-11-26 CN disclosed
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2021-05-13 US disclosed
CN-111936466-A Compounds for the treatment of cardiac arrhythmias and heart failure 埃利克斯生物技术公司 2020-11-13 CN disclosed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 WO disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (6 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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP JAK2 357/4885PDPK1 851/4885DAO 1939/4885
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE RYR2, RYR1, CACNA1F JAK2 4612/4885PDPK1 2662/4885DAO 1727/4885
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R JAK2 337/4885PDPK1 1249/4885DAO 1068/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB JAK2 634/4885PDPK1 222/4885DAO 3918/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB JAK2 634/4885PDPK1 222/4885DAO 3918/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F JAK2 4612/4885PDPK1 2662/4885DAO 1727/4885

“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.