SCHEMBL4530377

SCHEMBL4530377

CC(C)(C)Cn1ccc(C#N)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL15096488 0.79
SCHEMBL1234301 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3GABRDGABRA1
SCHEMBL2186034 0.75
SCHEMBL4529037 0.74 RPS6KB1 (0.35) SLC6A2SLC6A4SLC6A3GABRDGABRA1
SCHEMBL5569537 0.73 MGAT2 (0.37) SLC6A2SLC6A4SLC6A3CTSK
SCHEMBL4262922 0.73 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL23163069 0.72 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL12165181 0.72 GAA (0.38) SLC6A2SLC6A4SLC6A3ADORA2AADORA1
SCHEMBL31283271 0.72 AR (0.36) ARSLC6A2SLC6A4SLC6A3GABRD
SCHEMBL28803316 0.72 ALDH1A1 (0.38) GABRDGABRA1GABRB2GABRA4CTSK

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-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 AR 4205/4885SLC6A2 2080/4885SLC6A4 1250/4885

“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.