SCHEMBL3322538

SCHEMBL3322538

CCOC(=O)c1cc2c(/C=C/c3ccccc3)nc(N)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.46
▸ HSP90AB1 P08238 2/20 0.45
▸ KDM4E B2RXH2 7/20 0.44
▸ RAB9A P51151 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ MAPT P10636 6/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 3/20 0.41

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
SCHEMBL3322543 1.00 GRM4 (0.46) GRM4HSP90AB1KDM4ERAB9AHPGD
SCHEMBL13110216 0.90 MAPK14 (0.44) HSP90AB1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL13110215 0.90 HSP90AB1 (0.47) HSP90AB1KDM4EHPGDALDH1A1LMNA
SCHEMBL13110212 0.88 HPGD (0.46) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL13110222 0.87 MEN1 (0.41) HSP90AB1KDM4EMAPTMEN1KMT2A
SCHEMBL13110217 0.86 MAPT (0.43) HPGDALDH1A1LMNANPSR1MAPT
SCHEMBL13126247 0.85 HSP90AB1 (0.42) HSP90AB1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL13110228 0.85 HSP90AB1 (0.42) HSP90AB1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL27642800 0.84 GRM4 (0.48) GRM4HSP90AB1KDM4EHPGDALDH1A1
SCHEMBL13110229 0.84 HSP90AB1 (0.43) HSP90AB1KDM4ERAB9AHPGDSMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675861-B1 PYRIMIDOTHIOPHENE COMPOUNDS VERNALIS R&D LTD (GB) 2015-12-23 — — EP disclosed
US-8642594-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (R&D) LIMITED (GB) 2014-02-04 — — US disclosed
US-8642594-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (R&D) LIMITED (GB) 2014-02-04 — — US disclosed
US-8642594-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (R&D) LIMITED (GB) 2014-02-04 — — US disclosed
US-7820658-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-10-26 — — US disclosed
US-7820658-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-10-26 — — US disclosed
US-7820658-B2 Substituted thieno[2,3-d]pyrimidines as HSP90 inhibitors VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-10-26 — — US disclosed
US-20100120767-A1 Pyrimidothiophene Compounds Barril-Alonso, Xavier (GB) 2010-05-13 — — US disclosed
US-20100120767-A1 Pyrimidothiophene Compounds Barril-Alonso, Xavier (GB) 2010-05-13 — — US disclosed
US-20100120767-A1 Pyrimidothiophene Compounds Barril-Alonso, Xavier (GB) 2010-05-13 — — US disclosed
US-20070043044-A1 Pyrimidothiophene compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-02-22 — — US disclosed
US-20070043044-A1 Pyrimidothiophene compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-02-22 — — US disclosed
US-20070043044-A1 Pyrimidothiophene compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-02-22 — — US disclosed
EP-1675861-A1 PYRIMIDOTHIOPHENE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2006-07-05 — — EP disclosed
WO-2005021552-A1 PYRIMIDOTHIOPHENE COMPOUNDS VERNALIS (CAMBRIDGE) LTD (GB) 2005-03-10 — — 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 (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-20100120767-A1 Pyrimidothiophene Compounds ALK, HSP90AA1, HSP90AB1 GRM4 4508/4885HSP90AB1 3/4885KDM4E 4373/4885
US-20070043044-A1 Pyrimidothiophene compounds ALK, HSP90AA1, HSP90AB1 GRM4 4499/4885HSP90AB1 3/4885KDM4E 4382/4885

“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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