SCHEMBL3598502

SCHEMBL3598502

CC(COc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.47
ADORA2A P29274 3/20 0.47
ADORA2B P29275 6/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL1931610 1.00 ADORA1 (0.47) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL12534760 0.89 ADORA1 (0.38) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL1931824 0.84 ADORA1 (0.41) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL31409451 0.82 ADORA1 (0.49) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL25365985 0.82 ADORA1 (0.55) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL3347859 0.82 ADORA1 (0.55) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL31378287 0.80 ADORA1 (0.49) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL3338306 0.78 ADORA1 (0.60) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL1930548 0.78 ADORA1 (0.54) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL1931221 0.77 ADORA1 (0.50) ADORA1ADORA2AADORA2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A ADORA1 1/4885ADORA2A 3/4885ADORA2B 2/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL ADORA1 2721/4885ADORA2A 2391/4885ADORA2B 2425/4885

“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.