SCHEMBL404819

SCHEMBL404819

CCc1nc2c3cc(Cl)ccc3nc(Cl)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.47
PDE10A Q9Y233 2/20 0.44
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PIK3CD O00329 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
THPO P40225 1/20 0.41
PIK3CA P42336 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
SCHEMBL405671 0.82 ALDH1A1 (0.46) ADORA3PDE10ACSNK1A1CSNK1DCSNK1E
SCHEMBL11725076 0.81 ADORA3 (0.43) ADORA3PDE10AADORA2AADORA2B
SCHEMBL406127 0.81 PDE10A (0.60) ADORA3PDE10ACSNK1A1CSNK1DCSNK1E
SCHEMBL406114 0.80 HRH4 (0.50) KDM4E
SCHEMBL406205 0.79 HRH4 (0.48) ADORA3PDE10AKDM4ELMNAKMT2A
SCHEMBL406177 0.77 HAVCR2 (0.54) ADORA3PDE10ACSNK1A1CSNK1DCSNK1E
SCHEMBL14828881 0.76 HRH4 (0.45) ADORA3PDE10AADORA2AADORA1
SCHEMBL404554 0.73 ADORA3 (0.57) ADORA3CSNK1A1
SCHEMBL22987549 0.71 ADORA3 (0.70) ADORA3KDM4EMAPTADORA2AADORA2B
SCHEMBL22987551 0.70 ADORA3 (0.49) ADORA3CSNK1A1CSNK1DCSNK1EKDM4E

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 ADORA3 277/4885PDE10A 4079/4885CSNK1A1 4556/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADORA3 277/4885PDE10A 4079/4885CSNK1A1 4556/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADORA3 277/4885PDE10A 4079/4885CSNK1A1 4556/4885

“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.