SCHEMBL21663149

SCHEMBL21663149

CCc1nc2c([nH]1)C(=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRC P12931 1/20 0.32
DDAH1 O94760 1/20 0.32
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL21388637 0.78 SMN1; SMN2 (0.35) ADORA3ADORA1ADORA2ATNKS2SMN1; SMN2
SCHEMBL9078336 0.75 GLA (0.38)
SCHEMBL21160958 0.74 PARP1 (0.41) SMN1; SMN2L3MBTL1GAA
SCHEMBL12199286 0.69 KDM4E (0.36)
SCHEMBL9232984 0.67 ALDH1A1 (0.32) GAA
SCHEMBL19152671 0.67 SRC (0.33) ADORA3ADORA1ADORA2ATNKS2SMN1; SMN2
SCHEMBL12050029 0.67 POLB (0.52) SMN1; SMN2
SCHEMBL18711813 0.67 HPGD (0.54) SMN1; SMN2TP53L3MBTL1SRC
SCHEMBL22487790 0.64 ADORA1 (0.38) ADORA3ADORA1ADORA2ATNKS2DDAH1
SCHEMBL9178197 0.64 HRH4 (0.38) ADORA3ADORA1ADORA2ATNKS2DDAH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 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 (2 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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 ADORA3 171/4885ADORA1 185/4885ADORA2A 104/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 ADORA3 171/4885ADORA1 185/4885ADORA2A 104/4885

“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.