SCHEMBL790655

SCHEMBL790655

Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 15/20 0.53
PIK3CA P42336 5/20 0.49
MTOR P42345 1/20 0.47

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
SCHEMBL16926703 0.89 CCR2 (0.50) PIK3C3
SCHEMBL22447563 0.89 PIK3C3 (0.43) PIK3C3PIK3CA
SCHEMBL12276481 0.88 PIK3CD (0.57) PIK3C3PIK3CAMTOR
SCHEMBL31029634 0.88 BRD4 (0.47) PIK3C3
SCHEMBL29556116 0.88 PIK3CD (0.57) PIK3C3PIK3CAMTOR
SCHEMBL110313 0.86 ALPL (0.55) PIK3CAMTOR
SCHEMBL29434933 0.86 ALPL (0.55) PIK3CAMTOR
SCHEMBL29556110 0.86 ALPL (0.55) PIK3CAMTOR
SCHEMBL798076 0.85 ALPL (0.47) PIK3CAMTOR
SCHEMBL17022116 0.83 PIK3CA (0.56) PIK3C3PIK3CAMTOR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
CN-105916503-B Heteroaryl compounds and uses thereof 米伦纽姆医药公司 2020-04-14 CN disclosed
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
EP-3094325-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2016-11-23 EP disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
WO-2015108861-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
WO-2015108861-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 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 (4 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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885MTOR 2025/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885MTOR 2025/4885
US-20150225422-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885MTOR 2025/4885
US-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885MTOR 2025/4885

“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.