SCHEMBL2103994

SCHEMBL2103994

CN1Cc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
AKR1B1 P15121 2/20 0.44
GAA P10253 1/20 0.44
PNMT P11086 6/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
TDP2 O95551 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CYP1A2 P05177 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
SCHEMBL654959 0.87 ALDH1A1 (0.45) ALDH1A1AKR1B1GAAPNMTADRA2A
SCHEMBL28481900 0.80 PNMT (0.44) ALDH1A1AKR1B1GAAPNMTADRA2A
SCHEMBL3604229 0.78 BRD4 (0.53) ALDH1A1AKR1B1GAAPNMTADRA2A
SCHEMBL29059164 0.77 TDP2 (0.55) ALDH1A1PNMTADRA2AADRA2BADRA2C
SCHEMBL2061201 0.76 TDP2 (0.47) ALDH1A1AKR1B1GAAPNMTADRA2A
SCHEMBL27150504 0.73 MAPK1 (0.39) ALDH1A1GAAMAPTSIRT6TSHR
SCHEMBL29945643 0.73 DPP7 (0.50) ALDH1A1PNMTADRA2AADRA2BADRA2C
SCHEMBL28804330 0.72 AKR1B1 (0.43) ALDH1A1AKR1B1TSHR
SCHEMBL2100854 0.70 KDM4E (0.41) ALDH1A1GAAADRA2CMAPTRAB9A
SCHEMBL3607837 0.70 AKR1B1 (0.44) ALDH1A1AKR1B1GAAPNMTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676255-B1 THERAPEUTIC INDAZOLES RUTGERS THE STATE UNIV UNIV OF NEW JERSEY (US) 2025-04-16 EP 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
US-20220144781-A1 THERAPEUTIC INDAZOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-05-12 US disclosed
US-11186549-B2 Therapeutic indazoles RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-30 US disclosed
CN-111479805-A Therapeutic indazoles 罗格斯新泽西州立大学 2020-07-31 CN disclosed
EP-3676255-A1 THERAPEUTIC INDAZOLES Rutgers, The State University University Of New Jersey (US) 2020-07-08 EP disclosed
US-20200199076-A1 THERAPEUTIC INDAZOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 US disclosed
WO-2019046467-A1 THERAPEUTIC INDAZOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-07 WO disclosed
EP-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 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-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 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 (4 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 ALDH1A1 508/4885AKR1B1 666/4885GAA 2732/4885
US-20220144781-A1 THERAPEUTIC INDAZOLES RIF1, QTRT1, NQO2 ALDH1A1 508/4885AKR1B1 666/4885GAA 2732/4885
US-20200199076-A1 THERAPEUTIC INDAZOLES RIF1, NQO2, QTRT1 ALDH1A1 460/4885AKR1B1 647/4885GAA 2228/4885
US-11186549-B2 Therapeutic indazoles RIF1, NQO2, QTRT1 ALDH1A1 460/4885AKR1B1 647/4885GAA 2228/4885

“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.