SCHEMBL10323094

SCHEMBL10323094

NCC(Nc1nccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.76
▸ DYRK1B Q9Y463 2/20 0.76
▸ EIF2AK2 P19525 3/20 0.49
▸ MKNK1 Q9BUB5 5/20 0.47
▸ FLT3 P36888 3/20 0.45
▸ MERTK Q12866 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL10323704 0.94 DYRK1A (0.68) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10321917 0.91 DYRK1A (0.64) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10321614 0.89 DYRK1A (0.62) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10323641 0.87 FLT3 (0.58) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10323643 0.84 DYRK1A (0.56) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10322823 0.84 DYRK1A (0.55) DYRK1ADYRK1BEIF2AK2FLT3MERTK
SCHEMBL10322732 0.83 DYRK1A (0.55) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10323345 0.81 FLT3 (0.59) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL14668301 0.81 DYRK1A (0.52) DYRK1ADYRK1BEIF2AK2MKNK1FLT3
SCHEMBL10324016 0.81 DYRK1A (0.55) DYRK1ADYRK1BEIF2AK2MKNK1MERTK

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
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US claimed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US claimed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 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-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 DYRK1A 1060/4885DYRK1B 1036/4885EIF2AK2 1860/4885

“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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