SCHEMBL10322984

SCHEMBL10322984

O=C(O)c1cc2cnc(N3CCCCC3)nc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ AKT3 Q9Y243 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ ATF1 P18846 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11951912 0.89 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2LMNACASP1
SCHEMBL10322497 0.88 POLB (0.50) ALDH1A1POLBSMN1; SMN2AKT1PTPN11
SCHEMBL10324192 0.88 TNKS (0.43) ALDH1A1LMNACASP1DYRK1ADYRK1B
SCHEMBL10324214 0.86 POLB (0.45) ALDH1A1POLBSMN1; SMN2LMNADYRK1A
SCHEMBL10323449 0.86 DYRK1A (0.43) ALDH1A1LMNACASP1CDC7DYRK1A
SCHEMBL10324398 0.85 DYRK1A (0.52) ALDH1A1LMNACASP1PTPN11DYRK1A
SCHEMBL10323404 0.80 DYRK1A (0.59) DYRK1ADYRK1B
SCHEMBL10323015 0.80 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL10323016 0.80 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL10323700 0.75 ALDH1A1 (0.43) ALDH1A1POLBAKT1PTPN11DYRK1A

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 7 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
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
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US 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 ALDH1A1 2619/4885POLB 162/4885SMN1; SMN2 165/4885

“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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