SCHEMBL30850588

SCHEMBL30850588

c1csc(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ LMNA P02545 4/20 0.66
▸ TSHR P16473 4/20 0.56
▸ AURKA O14965 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.52
▸ EGFR P00533 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPK1 P28482 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP1A2 P05177 6/20 0.46
▸ CYP3A4 P08684 6/20 0.46
▸ CYP2D6 P10635 6/20 0.46
▸ CYP2C19 P33261 5/20 0.46
▸ CYP2C9 P11712 3/20 0.46

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
SCHEMBL14181334 1.00 SMN1; SMN2 (0.66) SMN1; SMN2LMNATSHRAURKARPS6KB1
SCHEMBL10645663 0.80 SMN1; SMN2 (1.00) SMN1; SMN2LMNATSHRAURKAEGFR
SCHEMBL17017529 0.79 SMN1; SMN2 (0.41) SMN1; SMN2LMNATSHRAURKARPS6KB1
SCHEMBL22347023 0.78 TSHR (0.63) SMN1; SMN2LMNATSHRAURKARPS6KB1
6-Benzylaminopurine SCHEMBL29772173 0.77 LMNA (0.62) SMN1; SMN2LMNATSHRAURKARPS6KB1
6-Benzylaminopurine SCHEMBL28824679 0.77 LMNA (0.62) SMN1; SMN2LMNATSHRAURKARPS6KB1
6-Benzylaminopurine SCHEMBL37357 0.77 LMNA (0.62) SMN1; SMN2LMNATSHRAURKARPS6KB1
SCHEMBL17009421 0.77 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRAURKARPS6KB1
SCHEMBL17017082 0.76 CLK1 (0.41) SMN1; SMN2LMNATSHREGFRMAPK1
6-Benzylaminopurine SCHEMBL218732 0.75 LMNA (0.61) SMN1; SMN2LMNATSHRAURKARPS6KB1

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 — — 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B SMN1; SMN2 3774/4885LMNA 1763/4885TSHR 188/4885

“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.

Send feedback