SCHEMBL4716677

SCHEMBL4716677

COc1ccc(Nc2cc(Cl)ncc2[N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.63
▸ HTT P42858 1/20 0.63
▸ MAPT P10636 7/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ IDO1 P14902 1/20 0.53
▸ ALDH3A1 P30838 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MERTK Q12866 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ PIN1 Q13526 1/20 0.44

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
SCHEMBL30578466 1.00 GAA (0.63) GAAHTTMAPTMAPK1TDP1
SCHEMBL23535498 0.84 MAPT (0.58) GAAHTTMAPTMAPK1TDP1
SCHEMBL3995507 0.83 HTT (0.45) GAAHTTMAPTMAPK1TDP1
SCHEMBL4002405 0.82 L3MBTL1 (0.58) GAAHTTMAPTMAPK1TDP1
SCHEMBL4933766 0.81 MAPT (0.67) GAAHTTMAPTMAPK1TDP1
SCHEMBL4002579 0.81 AR (0.51) MAPTRAB9ANPC1CTSVCTSL
SCHEMBL30578494 0.81 AR (0.51) MAPTRAB9ANPC1CTSVCTSL
SCHEMBL28476368 0.81 PTK2 (0.48) GAAHTTMAPK1PIN1
SCHEMBL4744863 0.80 MAPT (0.64) GAAHTTMAPTMAPK1TDP1
SCHEMBL2902330 0.80 MAPT (0.65) GAAHTTMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 — — CN disclosed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 — — US disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 — — US disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 — — EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — 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 (2 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-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 GAA 3689/4885HTT 4843/4885MAPT 4618/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP GAA 2100/4885HTT 4800/4885MAPT 4128/4885

“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.

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