SCHEMBL406127

SCHEMBL406127

Cc1nc2c3cc(Cl)ccc3nc(Cl)n2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.60
HAVCR2 Q8TDQ0 1/20 0.51
ADORA3 P0DMS8 5/20 0.44
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PIK3CD O00329 1/20 0.43
GMNN O75496 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL404654 0.88 PDE10A (0.55) PDE10AHAVCR2ADORA3LMNAKDM4E
SCHEMBL405733 0.88 HAVCR2 (0.55) PDE10AHAVCR2ADORA3LMNAMAPK1
SCHEMBL405895 0.85 PDE10A (0.57) PDE10AHAVCR2ADORA3CSNK1A1CSNK1D
SCHEMBL406089 0.82 PDE10A (0.59) PDE10AADORA3LMNAKDM4EKMT2A
SCHEMBL463514 0.81 PDE10A (0.48) PDE10AHAVCR2KMT2APDE5APDE4D
SCHEMBL7398110 0.81 PDE10A (0.63) PDE10AHAVCR2ADORA3LMNAKDM4E
SCHEMBL406026 0.81 PDE10A (0.41) PDE10AHAVCR2PDE5APDE4DHRH4
SCHEMBL404819 0.81 ADORA3 (0.47) PDE10AADORA3CSNK1A1CSNK1DCSNK1E
SCHEMBL406177 0.81 HAVCR2 (0.54) PDE10AHAVCR2ADORA3CSNK1A1CSNK1D
SCHEMBL11726521 0.80 PDE10A (0.50) PDE10AHAVCR2ADORA3MAPTADORA2A

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 12 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-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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (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 4079/4885HAVCR2 84/4885ADORA3 277/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885ADORA3 277/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885ADORA3 277/4885

“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.