SCHEMBL3828303

SCHEMBL3828303

O=C(O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.71
▸ RAB9A P51151 9/20 0.71
▸ KMT2A Q03164 4/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ TP53 P04637 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ GFER P55789 1/20 0.61
▸ CSNK2A2 P19784 2/20 0.60
▸ CSNK2A1 P68400 2/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.58
▸ DDX3X O00571 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CA5A P35218 1/20 0.56
▸ CA5B Q9Y2D0 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL18788945 0.86 NPC1 (0.67) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL9893004 0.86 CSNK2A2 (0.74) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL11480689 0.84 CSNK2A2 (0.83) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL4459490 0.84 HDAC1 (0.62) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL2421423 0.83 KDM4E (0.75) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL8144852 0.83 RAB9A (1.00) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL231006 0.82 NPC1 (0.63) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL16253030 0.82 NPC1 (0.64) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL9891908 0.82 NPC1 (0.63) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL7929987 0.82 NPC1 (0.63) NPC1RAB9AKMT2AKDM4ESMN1; SMN2

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-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 — — US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 — — US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
EP-1831164-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006067401-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2006-06-29 — — 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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885KMT2A 3450/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 NPC1 1577/4885RAB9A 4032/4885KMT2A 3262/4885

“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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