SCHEMBL4245462

SCHEMBL4245462

Nc1nc(-c2nn(Cc3ccccc3F)c3ccccc23)ncc1N1CC2CCC(C1)O2

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 19/20 0.48

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
SCHEMBL6785575 0.89 ADORA3 (0.53)
SCHEMBL14064250 0.84 BUB1 (0.44) BUB1
SCHEMBL4252454 0.81 BUB1 (0.49) BUB1
SCHEMBL6214026 0.81 BUB1 (0.53) BUB1
SCHEMBL14843837 0.78 BUB1 (0.67) BUB1
SCHEMBL14064249 0.76 BUB1 (0.44) BUB1
SCHEMBL7816730 0.76 BUB1 (0.54) BUB1
SCHEMBL14843520 0.76 BUB1 (0.68) BUB1
SCHEMBL5777076 0.74 PDE5A (0.48)
SCHEMBL29859363 0.71 PDE5A (0.50)

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-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
US-20060128700-A1 e.g. 2-[1-(2-Fluorobenzyl)-1H-indazol-3-yl]-5-(3-oxa-9-azabicyclo[3.3.1]non-9-yl)-4pyrimidinylamine; soluble guanylate cyclase stimulant; neurodegenerative diseases, cognition activator; Alhzeimer's, Parkinson's disease, Pick's syndrome, multiple sclerosis, HIV dementia, schizophrenia BAYER HEALTHCARE AG (DE) 2006-06-15 US disclosed
EP-1546147-A1 MORPHOLINE-BRIDGED INDAZOLE DERIVATIVES Bayer HealthCare AG (DE) 2005-06-29 EP disclosed
WO-2004031186-A1 MORPHOLINE-BRIDGED INDAZOLE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-04-15 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-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES OPRM1, OPRK1, OPRD1 BUB1 4507/4885
US-20060128700-A1 e.g. 2-[1-(2-Fluorobenzyl)-1H-indazol-3-yl]-5-(3-oxa-9-azabicyclo[3.3.1]non-9-yl)-4pyrimidinylamine; soluble guanylate cyclase stimulant; neurodegenerative diseases, cognition activator; Alhzeimer's, Parkinson's disease, Pick's syndrome, multiple sclerosis, HIV dementia, schizophrenia GUCY1B2, COG4, GUCY1A2 BUB1 4090/4885

“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.