Sugi Predict

Sugi Predict / Compounds / SCHEMBL110824

SCHEMBL110824

SCHEMBL110824

CC1(C)OB(c2ccc(CN3CCOCC3)c(Cl)c2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 5/20 0.58
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ P2RX7 Q99572 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL2801616 0.88 CYP2A13 (0.51) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL5254328 0.88 HSD17B10 (0.46) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL13957653 0.85 HSD17B10 (0.43) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL428922 0.85 CYP2A13 (0.50) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL2800781 0.84 KMT2A (0.41) CYP2A13KDM4ETDP1ALDH1A1POLB
SCHEMBL12909233 0.83 CYP2A13 (0.51) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL424879 0.81 TBK1 (0.42) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL2800997 0.81 PDE3B (0.45) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL146568 0.81 HRH3 (0.56) HIF1AALDH1A1LMNAMAPTHRH3
SCHEMBL20745737 0.80 HRH3 (0.54) HIF1AALDH1A1LMNAMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214561-B2 Histone methyltransferase EZH2 inhibitor, preparation method and pharmaceutical use thereof ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2022-01-04 — — US disclosed
US-20190345139-A1 HISTONE METHYLTRANSFERASE EZH2 INHIBITOR, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-11-14 — — US disclosed
WO-2018137639-A1 HISTONE METHYLTRANSFERASE EZH2 INHIBITOR, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 恩瑞生物医药科技（上海）有限公司 2018-08-02 — — WO disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 — — EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 — — WO disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 — — WO disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 — — 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 CYP2A13 2349/4885CYP2C9 1445/4885ALOX15 2435/4885
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 CYP2A13 2329/4885CYP2C9 470/4885ALOX15 3319/4885
US-20190345139-A1 HISTONE METHYLTRANSFERASE EZH2 INHIBITOR, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF EZH2, DOT1L, EHMT1 CYP2A13 2041/4885CYP2C9 1146/4885ALOX15 3556/4885
US-11214561-B2 Histone methyltransferase EZH2 inhibitor, preparation method and pharmaceutical use thereof EZH2, DOT1L, EHMT1 CYP2A13 2041/4885CYP2C9 1146/4885ALOX15 3556/4885

“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.