SCHEMBL5318951

SCHEMBL5318951

O=C(NCc1ccccn1)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.67
CNR2 P34972 7/20 0.67
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
MAPK10 P53779 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
GLA P06280 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 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
SCHEMBL5433578 0.85 GAA (0.51) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5231981 0.84 CNR1 (0.70) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5233081 0.84 CNR1 (0.64) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5236042 0.82 CNR1 (0.67) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5236575 0.81 CNR1 (0.66) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5233179 0.81 CNR1 (0.98) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5163850 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL5238560 0.80 CNR1 (0.64) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5158914 0.80 CNR1 (1.00) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5236233 0.78 CNR1 (0.67) CNR1CNR2KDM4ESMN1; SMN2MAPT

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 8 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 claimed
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN claimed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO claimed
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
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN 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 CNR1 6/4885CNR2 11/4885KDM4E 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.