SCHEMBL30850802

SCHEMBL30850802

c1nc(NCc2ccsc2)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PNP P00491 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDK1 P06493 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36

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
6-Benzylaminopurine SCHEMBL29772173 0.80 LMNA (0.62) LMNACYP1A2CYP2D6TSHRCDK2
6-Benzylaminopurine SCHEMBL28824679 0.80 LMNA (0.62) LMNACYP1A2CYP2D6TSHRCDK2
6-Benzylaminopurine SCHEMBL37357 0.80 LMNA (0.62) LMNACYP1A2CYP2D6TSHRCDK2
SCHEMBL10649362 0.80 LMNA (0.67) LMNACYP1A2CYP2D6TSHRCDK2
SCHEMBL4920550 0.78 AURKA (0.48) LMNACYP1A2CYP2D6TSHRCDK2
6-Benzylaminopurine SCHEMBL218732 0.78 LMNA (0.61) LMNACYP1A2CYP2D6TSHRCDK2
6-Benzylaminopurine SCHEMBL8378677 0.78 LMNA (0.61) LMNACYP1A2CYP2D6TSHRCDK2
SCHEMBL15950904 0.78 LMNA (0.47) LMNACYP1A2CYP2D6TSHRCDK2
6-Benzylaminopurine SCHEMBL11477799 0.78 LMNA (0.61) LMNACYP1A2CYP2D6TSHRCDK2
SCHEMBL722909 0.77 EGFR (0.52) LMNACYP1A2CYP2D6TSHRCDK2

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 LMNA 1763/4885CYP1A2 825/4885CYP2D6 1117/4885

“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.

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