SCHEMBL10323700

SCHEMBL10323700

COC(=O)c1cc2cnc(N3CCOCC3)nc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TDP2 O95551 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GALK1 P51570 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PDIA6 Q15084 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ AKT1 P31749 3/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42

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
SCHEMBL10324214 0.88 POLB (0.45) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL10322497 0.87 POLB (0.50) ALDH1A1KMT2AMEN1AKT1PIK3CA
SCHEMBL10323825 0.82 DYRK1A (0.68) KMT2APIK3CAMTORPIK3CGDYRK1A
SCHEMBL10323628 0.82 DYRK1A (0.68) ALDH1A1DYRK1ADYRK1B
SCHEMBL11949573 0.81 DYRK1A (0.56) ALDH1A1MAPTPIK3CAMTORPIK3CG
SCHEMBL1014805 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1APAF1NPC1
SCHEMBL10324192 0.75 TNKS (0.43) ALDH1A1DYRK1ADYRK1BTSHRCYP1A2
SCHEMBL10322984 0.75 ALDH1A1 (0.46) ALDH1A1MAPTAKT1POLBPTPN11
SCHEMBL10323239 0.74 DYRK1A (0.64) DYRK1ADYRK1B
SCHEMBL5455199 0.73 CNR2 (0.63) ALDH1A1MAPTPIK3CAPIK3CBMTOR

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 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 2619/4885KMT2A 2283/4885MEN1 1193/4885

“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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