SCHEMBL5239059

SCHEMBL5239059

Nc1cccnc1C(=O)NOC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
PIM3 Q86V86 2/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GRM4 Q14833 12/20 0.44
PIM2 Q9P1W9 1/20 0.43
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL5159142 0.80 CNR1 (0.57) PIM1PIM3
SCHEMBL4254640 0.75 CNR1 (0.58) PIM1PIM3
SCHEMBL5233816 0.75 CNR1 (0.71) KDM4EALDH1A1
SCHEMBL9281336 0.74 GRM4 (0.51) PIM1PIM3ALDH1A1GRM4TLR7
SCHEMBL5236023 0.73 CNR1 (0.53)
SCHEMBL7451835 0.73 GRM4 (0.50) PIM1PIM3KDM4EGRM4TLR7
SCHEMBL5233852 0.73 CNR1 (0.70) KDM4EALDH1A1
SCHEMBL1186799 0.72 GRM4 (0.55) PIM1PIM3KDM4EALDH1A1GRM4
SCHEMBL27212635 0.72 GRM4 (0.55) PIM1PIM3KDM4EALDH1A1GAA
SCHEMBL7265912 0.71 RAB9A (0.50) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 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 (1 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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 PIM1 725/4885PIM3 748/4885KDM4E 2218/4885

“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.