SCHEMBL3835689

SCHEMBL3835689

O=C1CNc2ncccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GSK3B P49841 4/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
OTUD7B Q6GQQ9 4/20 0.42
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
GSK3A P49840 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39

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
Hydrochloric Acid SCHEMBL8793068 0.98 CYP1A2 (0.46) CYP1A2SMN1; SMN2GSK3BCYP11B1CYP11B2
SCHEMBL626994 0.85 GSK3B (0.49) CYP1A2SMN1; SMN2GSK3BCYP11B1CYP11B2
SCHEMBL31503081 0.81 CYP1A2 (0.45) CYP1A2SMN1; SMN2GSK3BOTUD7BCDK5
SCHEMBL29561358 0.81 CYP1A2 (0.45) CYP1A2SMN1; SMN2GSK3BCYP11B1CYP11B2
SCHEMBL7102226 0.74
SCHEMBL7476995 0.74 SMN1; SMN2 (0.55) CYP1A2SMN1; SMN2GSK3BOTUD7BMAPT
SCHEMBL1253734 0.73 CA12 (0.38) CYP1A2SMN1; SMN2GSK3BMEN1KMT2A
SCHEMBL37900 0.73 AHR (0.50) CYP11B1CYP11B2MAPTMEN1KMT2A
SCHEMBL29483964 0.73 AHR (0.50) CYP11B1CYP11B2MAPTMEN1KMT2A
SCHEMBL29388854 0.73 MAPT (0.33) GSK3BCYP11B1CYP11B2CDK5GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067355-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYME (DUB) INHIBITORS Mission Therapeutics Limited (GB) 2022-10-05 EP claimed
EP-3423454-B1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-25 EP claimed
US-20220106315-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-04-07 US claimed
CN-108602823-B Spiro-condensed pyrrolidine derivatives as Deubiquitinase (DUB) inhibitors 特殊治疗有限公司 2022-04-01 CN claimed
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2021-06-24 US claimed
US-10654853-B2 Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors MISSION THERAPEUTICS LIMITED (GB) 2020-05-19 US claimed
US-20190048008-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-02-14 US claimed
EP-3337476-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2018-06-27 EP claimed
EP-3157919-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 EP claimed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 US claimed
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 WO claimed
EP-3019493-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP claimed
WO-2015193219-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO claimed
WO-2015193217-A1 BET-PROTEIN INHIBITING DIHYDROPYRIDO[2,3-B]PYRAZINONE DERIVATIVES WITH PARA-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO claimed
EP-2935260-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES Bayer Pharma Aktiengesellschaft (DE) 2015-10-28 EP claimed
WO-2015004075-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO claimed
WO-2014095774-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-26 WO claimed
JP-6211855-A None JP disclosed
JP-H06211855-A AZAQUINOXALINES, THEIR PRODUCTION AND THEIR USE HOECHST AG 1994-08-02 JP disclosed
EP-0590428-A1 Azaquinoxalines, process for their preparation, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP 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 (5 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-20220106315-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS OTUB1, UBE2E1, RCE1 CYP1A2 1843/4885SMN1; SMN2 4451/4885GSK3B 1821/4885
US-10654853-B2 Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors OTUB1, UBE2E1, RCE1 CYP1A2 1843/4885SMN1; SMN2 4451/4885GSK3B 1821/4885
US-20190048008-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS OTUB1, UBE2E1, RCE1 CYP1A2 1843/4885SMN1; SMN2 4451/4885GSK3B 1821/4885
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CYP1A2 4774/4885SMN1; SMN2 4324/4885GSK3B 1942/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CYP1A2 4774/4885SMN1; SMN2 4324/4885GSK3B 1942/4885

“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.