SCHEMBL12448205

SCHEMBL12448205

CC(C)OCC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.33
ACACB O00763 1/20 0.33
RORC P51449 1/20 0.31

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
SCHEMBL12689563 0.87 IRAK4 (0.35) PIK3CDIRAK4ACACB
SCHEMBL21429865 0.87 IRAK4 (0.35) PIK3CDIRAK4ACACB
SCHEMBL12541302 0.83 SLC1A3 (0.39)
SCHEMBL13452 0.83
SCHEMBL18883524 0.83 SLC1A3 (0.39)
SCHEMBL18883522 0.83 SLC1A3 (0.39)
SCHEMBL24914248 0.83 PIK3CD (0.34) PIK3CDACACB
SCHEMBL21743295 0.83 PIK3CD (0.34) PIK3CDACACB
SCHEMBL3383772 0.83 PIK3CD (0.34) PIK3CDIRAK4ACACB
SCHEMBL26315921 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-02 US disclosed
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-02 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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 (13 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885IRAK4 593/4885ACACB 950/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF PIK3CD 27/4885IRAK4 1104/4885ACACB 3987/4885
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 PIK3CD 918/4885IRAK4 465/4885ACACB 194/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 PIK3CD 850/4885IRAK4 2560/4885ACACB 3476/4885
US-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR PIK3CD 75/4885IRAK4 1794/4885ACACB 659/4885
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR PIK3CD 130/4885IRAK4 1972/4885ACACB 1978/4885
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE PIK3CD 4563/4885IRAK4 4813/4885ACACB 561/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK PIK3CD 149/4885IRAK4 44/4885ACACB 2848/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS PIK3CD 726/4885IRAK4 362/4885ACACB 1706/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB PIK3CD 64/4885IRAK4 25/4885ACACB 2174/4885
US-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 PIK3CD 1104/4885IRAK4 3733/4885ACACB 3339/4885
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, STS PIK3CD 2784/4885IRAK4 2468/4885ACACB 2922/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PIK3CD 3479/4885IRAK4 3886/4885ACACB 1188/4885

“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.