SCHEMBL12224166

SCHEMBL12224166

Cc1ccc2c(c1)nc(N1CCNCC1)n1nc(C)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
PDE10A Q9Y233 1/20 0.48
SOS1 Q07889 2/20 0.43
HTR6 P50406 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRA2A P08913 1/20 0.42
HTR2C P28335 1/20 0.42
AXL P30530 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HTR3A P46098 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
THRB P10828 1/20 0.39
ADRB1 P08588 3/20 0.39
NCF1 P14598 2/20 0.39

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
SCHEMBL404727 0.90 HRH4 (0.56) HRH4PDE10ASOS1HTR6ADRB2
SCHEMBL404754 0.88 HRH4 (0.54) HRH4PDE10ASOS1HTR6HTR3A
SCHEMBL404525 0.88 HRH4 (0.63) HRH4PDE10ASOS1ADRB2HTR3A
SCHEMBL405575 0.86 HRH4 (0.55) HRH4PDE10AADRB2HTR3ATP53
SCHEMBL440396 0.84 PDE10A (0.53) HRH4PDE10ASOS1HTR6ADRB2
SCHEMBL406083 0.82 HRH4 (0.56) HRH4SOS1HTR6ADRB2THRB
SCHEMBL405985 0.82 HRH4 (0.62) HRH4SOS1HTR6HTR3AADRB1
SCHEMBL404682 0.80 HRH4 (0.54) HRH4SOS1HTR6ADRB1NCF1
SCHEMBL406225 0.80 HRH4 (0.60) HRH4SOS1HTR6ADRB1NCF1
SCHEMBL406130 0.80 HRH4 (0.66) HRH4PDE10ASOS1HTR6ADRB2

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 1 patent. 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

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 1/4885PDE10A 4079/4885SOS1 3564/4885

“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.