SCHEMBL404641

SCHEMBL404641

Cc1ccc2nc(Cl)n3nc(C(F)(F)F)nc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ELANE P08246 1/20 0.41
PDE10A Q9Y233 2/20 0.39
ADRB2 P07550 3/20 0.39
ADRA2A P08913 1/20 0.38
HTR2C P28335 1/20 0.38
AXL P30530 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL437372 0.85 CCNE2 (0.43) PDE10AKDM4E
SCHEMBL404654 0.81 PDE10A (0.55) LMNAELANEPDE10AHTTMAPT
SCHEMBL404884 0.78 ADRB2 (0.56) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL404658 0.77 ADRB2 (0.57) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL31167502 0.76 NT5E (0.40) PDE10AHTT
SCHEMBL463514 0.76 PDE10A (0.48) PDE10AKMT2A
SCHEMBL27138975 0.72 LMNA (0.49) LMNAELANEADRB2ADRA2AHTR2C
SCHEMBL7398068 0.71 LMNA (0.45) LMNAELANEPDE10AHTTMAPT
SCHEMBL405808 0.71 HAVCR2 (0.53) SMN1; SMN2KDM4E
SCHEMBL22987411 0.71 ADORA3 (0.60) POLBSMN1; SMN2MAPTKDM4EALDH1A1

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 LMNA 4599/4885ELANE 924/4885PDE10A 4079/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885ELANE 924/4885PDE10A 4079/4885

“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.