SCHEMBL10324431

SCHEMBL10324431

CN1CCN(CCOc2ncc3cc(C(=O)O)c(=O)[nH]c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.39
▸ DYRK1B Q9Y463 7/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SYK P43405 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL10324022 0.88 HSP90AA1 (0.42) KDM4EHSP90AA1
SCHEMBL10323705 0.83 DHODH (0.45) HTR1ADRD2HTR2A
SCHEMBL10323489 0.81 DYRK1A (0.55) DYRK1ADYRK1BEGFRFGFR1SRC
SCHEMBL10323036 0.79 DYRK1A (0.56) DYRK1ADYRK1BEGFRFGFR1SRC
SCHEMBL10324192 0.78 TNKS (0.43) DYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL10323627 0.76 DYRK1A (0.57) DYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL10324008 0.72 DYRK1A (0.47) DYRK1ADYRK1BKDM4E
SCHEMBL10446512 0.71 KDM4E (0.41) DYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL10322403 0.70 KDM4E (0.47) DYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL10322786 0.69 KDM4E (0.45) KDM4EALDH1A1

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US claimed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — 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 (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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD DYRK1A 654/4885DYRK1B 570/4885KDM4E 2024/4885

“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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