Sugi Predict

Sugi Predict / Compounds / SCHEMBL3549149

SCHEMBL3549149

SCHEMBL3549149

CCOC(=O)c1cc2n(n1)CC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL21315317 0.85 KMT2A (0.40) CYP1A2KMT2AGAAADORA3KDM4E
SCHEMBL26726779 0.81 KDM4E (0.42) CYP1A2KMT2AGAAADORA3KDM4E
SCHEMBL23000276 0.79 POLB (0.33) POLB
SCHEMBL31389413 0.77 KMT2A (0.38) CYP1A2KMT2AGAAADORA3KDM4E
SCHEMBL31389838 0.77 KMT2A (0.38) CYP1A2KMT2AGAAADORA3KDM4E
SCHEMBL2929174 0.74 NPC1 (0.41) CYP1A2KMT2AGAAKDM4EMAPK1
SCHEMBL2927030 0.74 CYP1A2 (0.41) CYP1A2KMT2AGAAADORA3KDM4E
SCHEMBL23645568 0.74 MAPT (0.40) CYP1A2KMT2AGAAADORA3KDM4E
SCHEMBL2928372 0.73 NPC1 (0.43) CYP1A2KMT2AKDM4ENPC1RAB9A
SCHEMBL2928007 0.72 CYP1A2 (0.40) CYP1A2KMT2AGAAADORA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 — — US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 — — US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 — — US disclosed
US-20220340595-A1 MACROCYCLIC INDOLES AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-10-27 — — US disclosed
CN-113429410-B Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2022-10-04 — — CN disclosed
CN-113429410-A Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2021-09-24 — — CN disclosed
CN-110845520-B Macrocyclic indoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2021-04-13 — — CN disclosed
CN-110845520-A Macrocyclic indoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2020-02-28 — — CN disclosed
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 — — US disclosed
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 — — US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 — — US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 — — US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 — — EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 — — US disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 — — US disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 — — US disclosed
EP-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES INHIBITORS Wyeth (US) 2005-01-26 — — EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 — — US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 — — US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS WYETH (US) 2003-11-13 — — 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 (7 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 CYP1A2 144/4885KMT2A 3127/4885GAA 549/4885
US-20220340595-A1 MACROCYCLIC INDOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 CYP1A2 2701/4885KMT2A 390/4885GAA 3768/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS CYP1A2 699/4885KMT2A 803/4885GAA 53/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M CYP1A2 156/4885KMT2A 1229/4885GAA 13/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M CYP1A2 106/4885KMT2A 1332/4885GAA 12/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 CYP1A2 2701/4885KMT2A 390/4885GAA 3768/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M CYP1A2 145/4885KMT2A 878/4885GAA 33/4885

“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.