SCHEMBL8404252

SCHEMBL8404252

COc1cnc2c(c1)CCN2CCN1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
DRD4 P21917 1/20 0.42
TLR9 Q9NR96 3/20 0.41
HTR1A P08908 3/20 0.40
HTR2A P28223 3/20 0.40
DRD1 P21728 2/20 0.39
DRD3 P35462 2/20 0.39
DRD5 P21918 1/20 0.39
HTR7 P34969 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
SIK2 Q9H0K1 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
SCHEMBL8406229 0.73 LMNA (0.39)
SCHEMBL4377158 0.68 HTR7 (0.55) DRD3HTR7HRH3
SCHEMBL16847919 0.67 KCNH2 (0.38) DRD2TLR9DRD3HRH3
SCHEMBL3653090 0.66 HRH3 (0.64) DRD2DRD4HTR1AHRH3
Hydrochloric Acid SCHEMBL4535011 0.65 HRH3 (0.62) DRD2DRD4HTR1AHRH3
SCHEMBL4383412 0.64 POLB (0.38) HTR7
SCHEMBL18713086 0.64 LTA4H (0.54) DRD3HRH3
SCHEMBL18390558 0.64 CHKA (0.50)
SCHEMBL21281447 0.63 MCHR1 (0.45) TLR9HRH3
SCHEMBL24783779 0.62 DRD2 (0.42) DRD2DRD4HTR1AHTR2ADRD3

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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B DRD2 4379/4885DRD4 4294/4885TLR9 3568/4885

“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.