SCHEMBL14828862

SCHEMBL14828862

CCN(CC)c1nc2ncc(Cl)cc2c2nc(C3CC3)nn12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.58
HRH3 Q9Y5N1 2/20 0.36
CRHR1 P34998 2/20 0.35
ADORA2A P29274 4/20 0.34
PDE4D Q08499 3/20 0.34
PDE4A P27815 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
ADORA2B P29275 3/20 0.33
CSNK1D P48730 1/20 0.32

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
SCHEMBL14829008 0.81 HRH4 (0.67) HRH4HRH3ADORA2APDE4DPDE4A
SCHEMBL14829086 0.79 HRH4 (0.65) HRH4HRH3ADORA2APDE4DPDE4A
SCHEMBL14828824 0.76 HRH4 (0.77) HRH4HRH3ADORA2AADORA3ADORA1
SCHEMBL14828868 0.73 HRH4 (1.00) HRH4HRH3ADORA2AADORA3ADORA2B
SCHEMBL14828881 0.67 HRH4 (0.45) HRH4HRH3ADORA2AADORA3ADORA1
SCHEMBL14829047 0.65 HRH4 (0.44) HRH4HRH3
SCHEMBL14828971 0.63 HRH4 (0.73) HRH4HRH3ADORA2AADORA3ADORA1
SCHEMBL14828859 0.62 HRH4 (0.64) HRH4HRH3
SCHEMBL14828760 0.62 HRH4 (0.43) HRH4HRH3CRHR1
SCHEMBL2827323 0.61 ADORA3 (0.56) HRH4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP claimed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US claimed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US claimed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP claimed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 WO claimed
EP-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 WO disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 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 (1 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-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885CRHR1 132/4885

“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.