SCHEMBL404658

SCHEMBL404658

Cc1ccc2nc(N3CCNCC3)n3nc(C(F)(F)F)nc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.57
HTR6 P50406 2/20 0.57
ADRA2A P08913 1/20 0.57
HTR2C P28335 1/20 0.57
AXL P30530 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
SOS1 Q07889 6/20 0.43
HRH4 Q9H3N8 1/20 0.41
THRB P10828 1/20 0.38
HTR3A P46098 1/20 0.38
ADRB1 P08588 2/20 0.38
NCF1 P14598 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL442312 0.87 SOS1 (0.47) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL404884 0.87 ADRB2 (0.56) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL404727 0.84 HRH4 (0.56) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL12225169 0.81 ADRB2 (0.46) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL442398 0.80 HRH4 (0.51) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL404641 0.77 LMNA (0.41) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL12225290 0.76 ADRB2 (0.49) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL442228 0.76 DGAT1 (0.45) ADRB2ADRA2AHTR2CHTR2BHRH4
SCHEMBL12224166 0.75 HRH4 (0.56) ADRB2HTR6ADRA2AHTR2CAXL
SCHEMBL2467933 0.75 SOS1 (0.45) ADRB2HTR6ADRA2AHTR2CAXL

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 ADRB2 571/4885HTR6 111/4885ADRA2A 684/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRB2 571/4885HTR6 111/4885ADRA2A 684/4885

“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.