SCHEMBL21393272

SCHEMBL21393272

Cc1nccc2c1[nH]c1cc(OCC(=O)O)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 16/20 0.70
▸ DYRK1A Q13627 7/20 0.68
▸ KDM4E B2RXH2 1/20 0.66
▸ DYRK3 O43781 1/20 0.66
▸ CCNT1 O60563 1/20 0.66
▸ CCNB2 O95067 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CDK1 P06493 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ ADRA2A P08913 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CCNB1 P14635 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ ADRA2B P18089 1/20 0.66
▸ ADRA2C P18825 1/20 0.66
▸ CCNA2 P20248 1/20 0.66
▸ ACHE P22303 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ CDK2 P24941 1/20 0.66

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
SCHEMBL14253027 0.85 DYRK1A (0.65) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL3848233 0.83 MAOA (0.82) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL13874913 0.83 MAOA (0.74) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL15227618 0.82 DYRK1A (0.71) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL12071305 0.82 MAOA (1.00) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL3190402 0.82 MAOA (0.69) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL23175616 0.82 DYRK1A (0.78) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL13874909 0.82 MAOA (0.85) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL3847873 0.82 MAOA (0.81) MAOADYRK1AKDM4EDYRK3CCNT1
SCHEMBL15227823 0.82 DYRK1A (0.70) MAOADYRK1AKDM4EDYRK3CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 — — US disclosed
WO-2019183245-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-26 — — 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 (1 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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 MAOA 1312/4885DYRK1A 7/4885KDM4E 2500/4885

“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.

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