SCHEMBL20085472

SCHEMBL20085472

Cc1ccc2nn(CC3CCC3)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX5 P09917 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
GSK3B P49841 1/20 0.32
ROCK1 Q13464 1/20 0.32
CNR2 P34972 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL20085749 0.78 CRHR1 (0.37) RAB9ANPC1KCNH2CYP1A2IRAK4
SCHEMBL20085474 0.75 SMN1; SMN2 (0.39) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL20085470 0.73 TLR8 (0.35) KDM2BKCNH2HRH3CYP1A2IRAK4
SCHEMBL20085473 0.72 MPO (0.38) MEN1KMT2ACYP1A2IRAK4
SCHEMBL13432210 0.71 CRHR1 (0.38) KDM2BRAB9ANPC1MAPTADORA3
SCHEMBL20085471 0.70 HCAR1 (0.35) KCNH2HRH3MEN1MAPTKMT2A
SCHEMBL20325804 0.69 PIK3CD (0.38) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL17678027 0.68 CRHR1 (0.38) KDM2BRAB9ANPC1MEN1MAPT
SCHEMBL12440186 0.67 RAB9A (0.46) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL12441144 0.66 RAB9A (0.42) RAB9ANPC1MEN1MAPTKMT2A

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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN3B, GRIN2B KDM2B 1530/4885RAB9A 2215/4885NPC1 2044/4885

“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.