SCHEMBL48649

SCHEMBL48649

CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 1.00
PIK3CG P48736 15/20 1.00
PIK3CA P42336 10/20 1.00
PIK3CB P42338 10/20 1.00
PIK3C3 Q8NEB9 4/20 1.00
PI4KB Q9UBF8 4/20 1.00
PIK3C2A O00443 1/20 1.00
PIK3C2B O00750 1/20 1.00
PI4KA P42356 1/20 1.00
PRKDC P78527 1/20 1.00

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
SCHEMBL29373332 1.00 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL29180139 0.87 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL14851735 0.87 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL48677 0.86 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL21096715 0.86 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL14385624 0.85 PIK3CD (0.73) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL48485 0.84 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL48392 0.84 PIK3CG (0.83) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL14851611 0.84 PIK3CG (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL14851723 0.84 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US claimed
US-20190070166-A1 Optimized Method for Treating and Curing Arthritis, Diabetes, Multiple Sclerosis and Other Autoimmune Disease POSTREL RICHARD (US) 2019-03-07 US claimed
US-9301961-B2 Autoimmune and inflammatory disorder therapy KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-04-05 US claimed
US-20140294870-A1 Autoimmune and Inflammatory Disorder Therapy KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-10-02 US claimed
WO-2014083327-A1 ADENINE DERIVATIVES SUITABLE FOR THE TREATMENT OF (INTER ALIA) MUSCULAR DYSTROPHY MD PHARMA AB (SE) 2014-06-05 WO claimed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP claimed
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US disclosed
US-20220031853-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2022-02-03 US disclosed
US-20220017905-A1 METHODS FOR IDENTIFYING THERAPEUTIC TARGETS AND TREATING AND MONITORING CANCERS FRED HUTCHINSON CANCER CENTER 2022-01-20 US disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2021-01-07 US disclosed
US-10676746-B2 Methods for identifying therapeutic targets and treating monitoring cancers FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2020-06-09 US disclosed
WO-2012118978-A1 METHODS FOR TREATING ONCOVIRUS POSITIVE CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-09-07 WO disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 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 (9 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CG 8/4885PIK3CA 1/4885
US-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 PIK3CD 3905/4885PIK3CG 3503/4885PIK3CA 3406/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 PIK3CD 1353/4885PIK3CG 1894/4885PIK3CA 426/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 PIK3CD 2515/4885PIK3CG 3107/4885PIK3CA 1228/4885
US-20140294870-A1 Autoimmune and Inflammatory Disorder Therapy PI4KB, PI4KA, PI4K2B PIK3CD 10/4885PIK3CG 18/4885PIK3CA 30/4885
US-20220031853-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 PIK3CD 3905/4885PIK3CG 3503/4885PIK3CA 3406/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CG 8/4885PIK3CA 1/4885
US-20220017905-A1 METHODS FOR IDENTIFYING THERAPEUTIC TARGETS AND TREATING AND MONITORING CANCERS TP53, KRAS, VHL PIK3CD 1072/4885PIK3CG 988/4885PIK3CA 166/4885
US-10676746-B2 Methods for identifying therapeutic targets and treating monitoring cancers TP53, KRAS, MYC PIK3CD 910/4885PIK3CG 916/4885PIK3CA 147/4885

“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.