SCHEMBL21624152

SCHEMBL21624152

Cc1cccc2c1NC(=S)C(C)(C)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.35
DAO P14920 1/20 0.34
AKR1B1 P15121 1/20 0.33
RAD52 P43351 1/20 0.33
PDE7A Q13946 1/20 0.31
HTR5A P47898 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30559954 1.00 CREBBP (0.35) CREBBPDAOAKR1B1RAD52PDE7A
SCHEMBL21624172 0.78 AKR1B1 (0.43) CREBBPDAOAKR1B1RAD52PDE7A
SCHEMBL30559940 0.78 AKR1B1 (0.43) CREBBPDAOAKR1B1RAD52PDE7A
SCHEMBL21624055 0.76 CES1 (0.38) RAD52PDE7ACA2ALDH1A1
SCHEMBL30559943 0.76 CES1 (0.38) RAD52PDE7ACA2ALDH1A1
SCHEMBL8316095 0.74 BRPF1 (0.36) CREBBPRAD52ALDH1A1CYP3A4HSD17B10
SCHEMBL23648098 0.73
SCHEMBL12016687 0.73 CREBBP (0.48) CREBBPDAOPDE7AHTR5ACA12
SCHEMBL21624098 0.72 ALOX5 (0.50) CREBBPCA12CA1CA2CA7
SCHEMBL30559947 0.72 ALOX5 (0.50) CREBBPCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 US disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP disclosed
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 US disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 EP disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 WO disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 WO disclosed
EP-3823971-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-05-26 EP disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 US disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 US disclosed
CN-112673009-A Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-04-16 CN disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 WO disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 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 (3 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-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 CREBBP 1104/4885DAO 1139/4885AKR1B1 178/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 CREBBP 1073/4885DAO 1927/4885AKR1B1 195/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 CREBBP 1104/4885DAO 1139/4885AKR1B1 178/4885

“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.