SCHEMBL2103993

SCHEMBL2103993

Cn1cc2ccc([N+](=O)[O-])cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 2/20 0.61
NFKB1 P19838 1/20 0.61
CASP3 P42574 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
ALDH1A1 P00352 6/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.53
NSD2 O96028 1/20 0.53
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45

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
SCHEMBL654958 0.87 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30050446 0.81 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21316559 0.80 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2932049 0.80 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12251001 0.80 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15910643 0.80 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18896263 0.80 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18638758 0.78 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31324654 0.78 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30833761 0.77 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 EP disclosed
EP-3676255-B1 THERAPEUTIC INDAZOLES RUTGERS THE STATE UNIV UNIV OF NEW JERSEY (US) 2025-04-16 EP disclosed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
WO-2024254490-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE ACRIVON THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
CN-111479805-B Therapeutic indazoles 罗格斯新泽西州立大学 2024-08-13 CN disclosed
US-12060330-B2 Therapeutic indazoles RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-08-13 US disclosed
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
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
CN-116082399-A Condensed ring-2-aminopyrimidine compound, and composition and application thereof 浙江大学智能创新药物研究院 2023-05-09 CN disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 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 (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-12060330-B2 Therapeutic indazoles RIF1, QTRT1, NQO2 MAPT 1942/4885NPC1 1562/4885RAB9A 1080/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 MAPT 3688/4885NPC1 4408/4885RAB9A 2807/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3547/4885NPC1 4797/4885RAB9A 2893/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3547/4885NPC1 4797/4885RAB9A 2893/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 MAPT 3547/4885NPC1 4797/4885RAB9A 2893/4885

“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.