SCHEMBL30979893

SCHEMBL30979893

Nc1nc(-c2cccc(-c3ccccc3)c2)c2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.77
NUDT1 P36639 3/20 0.77
DHFR P00374 1/20 0.54
SCN9A Q15858 1/20 0.52
DCPS Q96C86 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL12281655 0.87 ADORA2A (0.92) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL421987 0.87 ADORA2A (1.00) ADORA2ANUDT1SCN9ADCPSMEN1
Hydrochloric Acid SCHEMBL27344186 0.85 ADORA2A (0.96) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL23760187 0.83 ADORA2A (0.71) ADORA2ANUDT1DHFRSCN9ADCPS
SCHEMBL30979864 0.81 ADORA2A (0.74) ADORA2ANUDT1DHFRSCN9AALDH1A1
SCHEMBL18504107 0.81 MEN1 (0.63) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL18503962 0.81 MEN1 (0.58) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL26448241 0.81 MEN1 (0.58) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL24084040 0.81 MEN1 (0.58) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL18504103 0.81 MEN1 (0.58) ADORA2ANUDT1MEN1KMT2AATM

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 ADORA2A 2383/4885NUDT1 4031/4885DHFR 1322/4885

“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.