SCHEMBL2227297

SCHEMBL2227297

O=[N+]([O-])c1c[nH]c(-c2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 8/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALPL P05186 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ METAP2 P50579 6/20 0.41
▸ CBFB Q13951 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HIF1A Q16665 2/20 0.40

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
SCHEMBL11843651 0.80 MAPT (0.36) METAP1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL28920099 0.77 ALDH1A1 (0.33) NPC1RAB9AL3MBTL1KDM4EMAPT
SCHEMBL990710 0.77 MAPT (0.48) NPC1RAB9AL3MBTL1KDM4EMAPT
SCHEMBL8311607 0.74 KDM4E (0.56) METAP1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL5578303 0.73 — —
SCHEMBL6924808 0.71 SMN1; SMN2 (0.47) METAP1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL3327100 0.71 KDM4E (0.49) METAP1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL14157267 0.71 NPC1 (0.47) METAP1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL19691765 0.71 BTK (0.47) METAP1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL10982107 0.71 NPC1 (0.44) METAP1NPC1RAB9AL3MBTL1KDM4E

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
WO-2011089132-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 — — WO disclosed
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 — — US disclosed
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 — — US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 — — EP disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 — — US disclosed
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 — — EP disclosed
WO-2005075478-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-18 — — 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-20090036445-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 METAP1 2567/4885NPC1 2479/4885RAB9A 2018/4885
US-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 METAP1 2567/4885NPC1 2479/4885RAB9A 2018/4885

“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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