SCHEMBL2469649

SCHEMBL2469649

Cc1nc2c3cc(Cl)cc(I)c3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.63
HRH3 Q9Y5N1 2/20 0.43
HTR3A P46098 4/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
SOS1 Q07889 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL12225148 0.88 HRH4 (0.65) HRH4HRH3HTR3AHAVCR2SOS1
SCHEMBL406897 0.87 HRH4 (0.64) HRH4HRH3HTR3AHAVCR2SOS1
SCHEMBL2465970 0.83 HRH4 (0.59) HRH4HRH3HTR3ASOS1PDE10A
SCHEMBL405768 0.78 HRH4 (0.65) HRH4HRH3HTR3APDE10AKDM4E
SCHEMBL14829055 0.77 HRH4 (1.00) HRH4HRH3HTR3AHAVCR2ADORA3
SCHEMBL404728 0.77 HRH4 (0.54) HRH4HRH3ADORA3ADORA2AADORA1
SCHEMBL404518 0.76 HRH4 (0.62) HRH4HRH3HTR3AHAVCR2KDM4E
SCHEMBL404546 0.75 HRH4 (0.61) HRH4HRH3HTR3ASOS1KDM4E
SCHEMBL406905 0.75 HRH4 (0.52) HRH4HRH3HAVCR2ADORA3ADORA2A
SCHEMBL406898 0.74 HRH4 (0.65) HRH4SOS1PDE10A

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-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

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HTR3A 153/4885

“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.