SCHEMBL462813

SCHEMBL462813

Cc1nc2c3cc(Cl)c(C(F)(F)F)cc3nc(N3CCNCC3)n2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.54
SOS1 Q07889 10/20 0.39
ADRB2 P07550 3/20 0.39
HTR6 P50406 2/20 0.37
ADRA2A P08913 1/20 0.37
HTR2C P28335 1/20 0.37
AXL P30530 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Hydrochloric Acid SCHEMBL439453 0.99 HRH4 (0.53) HRH4SOS1ADRB2HTR6ADRA2A
SCHEMBL438079 0.96 HRH4 (0.54) HRH4SOS1ADRB2HTR6ADRA2A
SCHEMBL462902 0.88 HRH4 (0.50) HRH4SOS1ADRB2HTR6ADRA2A
SCHEMBL463605 0.88 HRH4 (0.54) HRH4SOS1ADRB2PDE10AKDM4E
SCHEMBL405985 0.87 HRH4 (0.62) HRH4SOS1HTR6
Hydrochloric Acid SCHEMBL437083 0.87 HRH4 (0.53) HRH4SOS1ADRB2PDE10AALDH1A1
Hydrochloric Acid SCHEMBL440771 0.87 HRH4 (0.49) HRH4SOS1ADRB2HTR6ADRA2A
SCHEMBL12224710 0.87 HRH4 (0.51) HRH4SOS1ADRB2HTR6ADRA2A
SCHEMBL462918 0.86 HRH4 (0.50) HRH4SOS1ADRB2HTR6ADRA2A
SCHEMBL405989 0.85 HRH4 (0.57) HRH4SOS1HTR6

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 4 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
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 HRH4 1/4885SOS1 3564/4885ADRB2 571/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SOS1 3564/4885ADRB2 571/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SOS1 3564/4885ADRB2 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.