SCHEMBL405004

SCHEMBL405004

Cc1cc(F)c2nc(N3CCNCC3)n3nc(C)nc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.55
HTR6 P50406 2/20 0.38
ADRB2 P07550 1/20 0.36
ADRA2A P08913 1/20 0.36
HTR2C P28335 1/20 0.36
AXL P30530 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SOS1 Q07889 8/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
THRB P10828 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NOS2 P35228 1/20 0.33

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
SCHEMBL406898 0.88 HRH4 (0.65) HRH4SOS1PDE10A
SCHEMBL12224750 0.88 HRH4 (0.53) HRH4HTR6SOS1ADORA3ADORA2A
SCHEMBL404728 0.86 HRH4 (0.54) HRH4ADRB2ADORA3ADORA2ATHRB
SCHEMBL463086 0.86 HRH4 (0.51) HRH4HTR6ADRB2ADRA2AHTR2C
Hydrochloric Acid SCHEMBL438441 0.85 HRH4 (0.50) HRH4HTR6ADRB2ADRA2AHTR2C
SCHEMBL406083 0.81 HRH4 (0.56) HRH4HTR6ADRB2SOS1THRB
SCHEMBL404682 0.79 HRH4 (0.54) HRH4HTR6SOS1
SCHEMBL406287 0.79 HRH4 (0.54) HRH4HTR6SOS1
SCHEMBL404727 0.79 HRH4 (0.56) HRH4HTR6ADRB2ADRA2AHTR2C
SCHEMBL405989 0.77 HRH4 (0.57) HRH4HTR6SOS1

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 2 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR6 111/4885ADRB2 571/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR6 111/4885ADRB2 571/4885

“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.