SCHEMBL406089

SCHEMBL406089

COc1ccc2nc(Cl)n3nc(C)nc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.59
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.43
SLC2A1 P11166 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NQO2 P16083 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
RAD52 P43351 1/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 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
SCHEMBL463648 0.84 PDE10A (0.44) PDE10AHSD17B10LMNASMN1; SMN2ADORA3
SCHEMBL22988145 0.83 ADORA3 (0.60) KDM4EHSD17B10POLBSMN1; SMN2ALDH1A1
SCHEMBL404654 0.82 PDE10A (0.55) PDE10AKDM4ELMNAALDH1A1MEN1
SCHEMBL406127 0.82 PDE10A (0.60) PDE10AKDM4ELMNAALDH1A1KMT2A
SCHEMBL405895 0.80 PDE10A (0.57) PDE10AMEN1KMT2AADORA3HTT
SCHEMBL11729112 0.79 PDE10A (0.52) PDE10AKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL22988146 0.79 ADORA3 (0.53) KDM4EPOLBALDH1A1ADORA3TP53
SCHEMBL22987411 0.77 ADORA3 (0.60) KDM4EHSD17B10POLBSMN1; SMN2ALDH1A1
SCHEMBL404657 0.77 PDE10A (0.53) PDE10AKDM4EHSD17B10LMNAPOLB
SCHEMBL22987412 0.77 MAPT (0.43) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885KDM4E 1897/4885HSD17B10 3443/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885KDM4E 1897/4885HSD17B10 3443/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885KDM4E 1897/4885HSD17B10 3443/4885

“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.