SCHEMBL4110824

SCHEMBL4110824

Cc1cc(CC(=O)c2cccc(C#N)c2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.52
▸ GRM5 P41594 1/20 0.46
▸ VNN1 O95497 12/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ELANE P08246 1/20 0.39

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
SCHEMBL4113592 0.81 GSK3B (0.54) GSK3BGRM5VNN1ELANE
SCHEMBL30460400 0.81 GSK3B (0.54) GSK3BGRM5VNN1ELANE
SCHEMBL30460427 0.80 GSK3B (0.52) GSK3BGRM5VNN1ELANE
SCHEMBL25310631 0.80 GSK3B (0.52) GSK3BGRM5VNN1ELANE
SCHEMBL30460566 0.79 GSK3B (0.51) GSK3BGRM5VNN1ALDH1A1HPGD
SCHEMBL25260579 0.79 GSK3B (0.51) GSK3BGRM5VNN1ALDH1A1HPGD
SCHEMBL25310174 0.75 GSK3B (0.50) GSK3BGRM5VNN1
SCHEMBL30460418 0.75 GSK3B (0.50) GSK3BGRM5VNN1
SCHEMBL25310003 0.73 GSK3B (0.51) GSK3BGRM5VNN1SMN1; SMN2ELANE
SCHEMBL310975 0.73 GSK3B (0.51) GSK3BGRM5VNN1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910178-B Thiazole derivatives as A2B antagonists NOVARTIS AG 2010-06-02 — — CN disclosed
US-20090233938-A1 Thiazole derivatives as a2b antagonists NOVARTIS AG (CH) 2009-09-17 — — US disclosed
EP-1709036-B1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2008-03-05 — — EP disclosed
CN-1910178-A Thiazole derivatives as A2B antagonists NOVARTIS AG (CH) 2007-02-07 — — CN disclosed
EP-1709036-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS Novartis AG (CH) 2006-10-11 — — EP disclosed
WO-2005070926-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2005-08-04 — — WO 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-20090233938-A1 Thiazole derivatives as a2b antagonists ADORA2B, ADRA2B, AGTR2 GSK3B 4388/4885GRM5 1915/4885VNN1 1743/4885

“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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