SCHEMBL4002579

SCHEMBL4002579

O=[N+]([O-])c1cnc(Cl)cc1Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.51
▸ PIN1 Q13526 3/20 0.50
▸ MAPT P10636 4/20 0.48
▸ CTSV O60911 5/20 0.48
▸ CTSL P07711 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ AURKA O14965 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 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
SCHEMBL30578494 1.00 AR (0.51) ARPIN1MAPTCTSVCTSL
SCHEMBL4002405 0.84 L3MBTL1 (0.58) PIN1MAPTMEN1KMT2ALMNA
SCHEMBL28469094 0.83 CTSV (0.53) PIN1MAPTCTSVCTSLMEN1
SCHEMBL4716677 0.81 GAA (0.63) PIN1MAPTCTSVCTSLNPC1
SCHEMBL30578466 0.81 GAA (0.63) PIN1MAPTCTSVCTSLNPC1
SCHEMBL3919788 0.81 MAPK1 (0.63) ARMAPTCTSVCTSLMEN1
SCHEMBL24270838 0.80 SIRT2 (0.51) ARMAPTCTSVCTSLMEN1
SCHEMBL29492704 0.80 SIRT2 (0.51) ARMAPTCTSVCTSLMEN1
SCHEMBL5579639 0.80 CTSV (0.55) ARMAPTCTSVCTSLMEN1
SCHEMBL5580003 0.77 CTSV (0.57) ARMAPTCTSVCTSLMEN1

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 4 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
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 — — US disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 — — 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 (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-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP AR 2799/4885PIN1 2144/4885MAPT 4128/4885
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB AR 4685/4885PIN1 2327/4885MAPT 2720/4885

“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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