SCHEMBL4085766

SCHEMBL4085766

CC(C)(C)OC(=O)NCc1nc2ccncc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.54
▸ CACNA1B Q00975 1/20 0.54
▸ CACNA1C Q13936 1/20 0.54
▸ BCHE P06276 1/20 0.46
▸ LATS1 O95835 5/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ LATS2 Q9NRM7 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HPSE Q9Y251 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL38662207 1.00 CACNA1H (0.54) CACNA1HCACNA1BCACNA1CBCHELATS1
SCHEMBL30759308 0.90 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CBCHELATS1
SCHEMBL6297783 0.84 BCHE (0.65) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2
SCHEMBL29893017 0.82 KDM4C (0.54) CACNA1HCACNA1BCACNA1CLATS1NAMPT
SCHEMBL19494569 0.81 SMN1; SMN2 (0.62) CACNA1HCACNA1BCACNA1CBCHECYP3A4
Tert-Butyl Formate SCHEMBL27761934 0.80 BCHE (0.57) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2
SCHEMBL23731882 0.80 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2
SCHEMBL15584671 0.80 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2
SCHEMBL30103105 0.80 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2
SCHEMBL15584882 0.80 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 — — EP 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT CACNA1H 4229/4885CACNA1B 4551/4885CACNA1C 4184/4885

“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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