SCHEMBL21737575

SCHEMBL21737575

Cc1[nH]nc(C(C)(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
HTT P42858 1/20 0.33
PTK2 Q05397 1/20 0.33
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12775511 0.79 DYRK1A (0.31) DYRK1A
SCHEMBL15912330 0.77 DYRK1A (0.35) DYRK1A
SCHEMBL3643513 0.75 BRD4 (0.36) GAA
SCHEMBL11541107 0.75
SCHEMBL21719774 0.75
SCHEMBL7132741 0.72 DYRK1A (0.31) DYRK1A
SCHEMBL24499304 0.71
SCHEMBL24610542 0.70 DHODH (0.47) DYRK1ADHODH
SCHEMBL7261697 0.69 HCAR2 (0.35) HTT
SCHEMBL5284507 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 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 (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-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors AURKA, AURKC, AURKB DYRK1A 1164/4885HTT 4306/4885PTK2 1296/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB DYRK1A 899/4885HTT 4284/4885PTK2 1270/4885

“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.