SCHEMBL30980862

SCHEMBL30980862

COc1cc(-c2ccccn2)ccc1C1=NCCN1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.55
MAOB P27338 1/20 0.45
PDCD1LG2 Q9BQ51 4/20 0.44
CD274 Q9NZQ7 4/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL27650161 0.79 MAOB (0.49) NISCHMAOBPDCD1LG2CD274
SCHEMBL28710992 0.78 SYK (0.50)
SCHEMBL2781659 0.76 NISCH (0.74) NISCHADRA1A
SCHEMBL5797361 0.75 MEN1 (0.56) CD274
SCHEMBL29496946 0.75 MEN1 (0.56) CD274
SCHEMBL31743071 0.74 NISCH (0.54) NISCHPDCD1LG2CD274
SCHEMBL6766750 0.74 ALDH1A1 (0.59) ADRA2B
SCHEMBL14668861 0.74 ERN1 (0.48)
SCHEMBL29141516 0.74 ERN1 (0.51)
SCHEMBL23956338 0.74 ERN1 (0.46)

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-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 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-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS NISCH 3084/4885MAOB 1301/4885PDCD1LG2 163/4885

“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.