SCHEMBL20138908

SCHEMBL20138908

COc1ccc2c(c1)[nH]c1c(=O)[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
CDK4 P11802 4/20 0.54
CCND1 P24385 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CDK2 P24941 3/20 0.54
HASPIN Q8TF76 2/20 0.54
DYRK2 Q92630 2/20 0.54
ACHE P22303 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 2/20 0.54
DYRK3 O43781 1/20 0.54
CCNT1 O60563 1/20 0.54
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
ADRA2A P08913 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
SCHEMBL1656578 0.88 ALDH1A1 (0.59) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL21330593 0.80 ALDH1A1 (0.53) DYRK1AKDM4EALDH1A1HPGDHSD17B10
Propionic Acid SCHEMBL4153202 0.79 ACHE (0.47) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31451502 0.79 CDK4 (0.54) KDM4EALDH1A1HPGDHSD17B10CDK4
SCHEMBL6826519 0.78 ALDH1A1 (0.58) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2330779 0.76 KDM4E (0.68) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29533596 0.76 KDM4E (0.68) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26768225 0.76 KDM4E (0.60) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29853502 0.76 KDM4E (0.60) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26608014 0.74 CDK4 (0.56) DYRK1AKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-04-25 US disclosed
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-01-09 US disclosed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
CN-112135613-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2020-12-25 CN disclosed
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
CN-109963850-A The selective depressant of genotoxicity stress-induced IKK/NF- kB pathway 马克思-德布鲁克-分子医学中心亥姆霍兹联合会 2019-07-02 CN disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 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 (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-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, DYRK1A, CSNK1G3 DYRK1A 2/4885KDM4E 2461/4885ALDH1A1 4559/4885
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE DYRK1A 3502/4885KDM4E 2954/4885ALDH1A1 3837/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE DYRK1A 3349/4885KDM4E 2948/4885ALDH1A1 3972/4885
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use CSNK1A1, CSNK1E, CSNK1G3 DYRK1A 7/4885KDM4E 2500/4885ALDH1A1 4302/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 DYRK1A 7/4885KDM4E 2500/4885ALDH1A1 4302/4885

“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.