SCHEMBL21025577

SCHEMBL21025577

CC(C)(C)c1ccc2ocnc2n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL21496818 0.81 NOTUM (0.37) DYRK1A
SCHEMBL31391384 0.81 NOTUM (0.37) DYRK1A
SCHEMBL5551639 0.74 CCR1 (0.36) DYRK1A
SCHEMBL18937626 0.73 DYRK1A (0.32) DYRK1A
SCHEMBL13486512 0.71 HTR3A (0.36) DYRK1AHTR2AHTR2C
SCHEMBL10110859 0.70 DAGLA (0.33)
SCHEMBL29533147 0.69 DYRK1A (0.33) DYRK1A
SCHEMBL29126093 0.69 DYRK1A (0.33) DYRK1A
SCHEMBL5551632 0.69 DYRK1A (0.33) DYRK1A
SCHEMBL23456596 0.69 TSHR (0.32)

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-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 US 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 (2 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-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB DYRK1A 324/4885HTR2A 2110/4885HTR2C 1602/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB DYRK1A 324/4885HTR2A 2110/4885HTR2C 1602/4885

“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.