SCHEMBL465734

SCHEMBL465734

CCOC(=O)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
ABCB1 P08183 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
GAA P10253 2/20 0.57
HSP90AA1 P07900 2/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
EGFR P00533 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL3931386 0.95 SMN1; SMN2 (0.62) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL4636472 0.95 SMN1; SMN2 (0.62) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL2199922 0.94 CYP1A2 (0.60) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL13879748 0.88 SMN1; SMN2 (0.54) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL8229093 0.88 CYP1A2 (0.59) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL9529235 0.87 CYP1A2 (0.51) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
Bromide SCHEMBL3599553 0.87 CYP1A2 (0.58) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL10995722 0.87 CYP1A2 (0.51) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL3382178 0.86 CYP1A2 (0.48) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL4133144 0.86 CYP1A2 (0.51) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer LES LABORATOIRES SERVIER (FR) 2026-03-10 US disclosed
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
CN-114450284-B 6, 7-Dihydro-5H-pyrido [2,3-C ] pyridazine derivatives as BCL-XL protein inhibitors 法国施维雅药厂 2024-05-07 CN disclosed
EP-4003989-B1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER SERVIER LAB (FR) 2023-12-27 EP disclosed
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
CN-116768883-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-09-19 CN disclosed
WO-2023134765-A1 FIVE-MEMBERED-RING-CONTAINING DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 上海翰森生物医药科技有限公司 2023-07-20 WO disclosed
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER VERNALIS (R&D) LTD (GB) 2022-11-17 US disclosed
EP-4003989-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
US-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2003-11-27 US disclosed
EP-1112275-B1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-07-30 EP disclosed
WO-2003010154-A1 SELENO COMPOUNDS CONTAINING NITRONE MOIETY, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO disclosed
US-6489476-B1 FRUCTOSE-1,6-BISPHOSPHATASE ENZYME INHIBITORS ARE USEFUL IN THE TREATMENT OF DIABETES AND OTHER CONDITIONS ASSOCIATED WITH ELEVATED BLOOD GLUCOSE OR EXCESS GLYCOGEN STORAGE. METABASIS THERAPEUTICS, INC. 2002-12-03 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 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 (6 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-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses GPX4, GPX1, LPO CYP1A2 2908/4885CYP2C19 3821/4885SMN1; SMN2 39/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 CYP1A2 2039/4885CYP2C19 920/4885SMN1; SMN2 2797/4885
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer BCOR, BCL2A1, BAK1 CYP1A2 584/4885CYP2C19 2423/4885SMN1; SMN2 3990/4885
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 CYP1A2 575/4885CYP2C19 244/4885SMN1; SMN2 2194/4885
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER BAK1, BCL2, BCL2A1 CYP1A2 238/4885CYP2C19 1301/4885SMN1; SMN2 4155/4885
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR CYP1A2 1022/4885CYP2C19 342/4885SMN1; SMN2 2945/4885

“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.