SCHEMBL405733

SCHEMBL405733

Cc1nc2c3ccc(Cl)cc3nc(Cl)n2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.55
PDE10A Q9Y233 7/20 0.47
POLB P06746 1/20 0.46
ADORA3 P0DMS8 3/20 0.44
NR4A2 P43354 1/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
MPO P05164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL406116 0.88 PDE10A (0.55) HAVCR2PDE10AADORA3LMNA
SCHEMBL406127 0.88 PDE10A (0.60) HAVCR2PDE10AADORA3LMNAKMT2A
SCHEMBL405737 0.85 PDE10A (0.57) HAVCR2PDE10ALMNAMAPK1MPO
SCHEMBL31167556 0.85 PDE10A (0.57) HAVCR2PDE10AADORA3LMNAMPO
SCHEMBL463601 0.81 PDE10A (0.60) HAVCR2PDE10ALMNAKMT2A
SCHEMBL406026 0.81 PDE10A (0.41) HAVCR2PDE10AHRH4
SCHEMBL7398110 0.81 PDE10A (0.63) HAVCR2PDE10AADORA3LMNA
SCHEMBL404518 0.78 HRH4 (0.62) HAVCR2HRH4
SCHEMBL404654 0.78 PDE10A (0.55) HAVCR2PDE10AADORA3LMNAKMT2A
SCHEMBL404651 0.78 PDE10A (0.39) HAVCR2PDE10AHRH4

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 HAVCR2 84/4885PDE10A 4079/4885POLB 4705/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885PDE10A 4079/4885POLB 4705/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885PDE10A 4079/4885POLB 4705/4885

“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.