SCHEMBL10324398

SCHEMBL10324398

NC1CCN(c2ncc3cc(C(=O)O)c(=O)[nH]c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.52
▸ DYRK1B Q9Y463 2/20 0.52
▸ PAK4 O96013 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ MATK P42679 1/20 0.37
▸ MAPKAPK3 Q16644 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36
▸ PTPN11 Q06124 4/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CAMK1D Q8IU85 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DKK1 O94907 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RET P07949 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL10323449 0.89 DYRK1A (0.43) DYRK1ADYRK1BHCAR2MCHR1ALDH1A1
SCHEMBL10322984 0.85 ALDH1A1 (0.46) DYRK1ADYRK1BHCAR2PTPN11ALDH1A1
SCHEMBL10322497 0.83 POLB (0.50) DYRK1ADYRK1BPTPN11ALDH1A1
SCHEMBL10324192 0.83 TNKS (0.43) DYRK1ADYRK1BHCAR2ALDH1A1LMNA
SCHEMBL10323016 0.81 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL10323015 0.81 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL11951912 0.75 SMN1; SMN2 (0.41) DYRK1ADYRK1BPTPN11ALDH1A1LMNA
SCHEMBL10324214 0.73 POLB (0.45) DYRK1ADYRK1BALDH1A1LMNA
SCHEMBL10323700 0.71 ALDH1A1 (0.43) DYRK1ADYRK1BPTPN11ALDH1A1
SCHEMBL10322403 0.70 KDM4E (0.47) DYRK1ADYRK1BALDH1A1

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 570/4885PAK4 685/4885

“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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