SCHEMBL1662815

SCHEMBL1662815

O=c1cc(CC2CCCCC2)[nH]c2n[nH]c(C3=CC=C3)c12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.42
JAK2 O60674 8/20 0.40
JAK1 P23458 8/20 0.40
JAK3 P52333 8/20 0.40
TYK2 P29597 7/20 0.40
KDM5B Q9UGL1 2/20 0.34
KDM5A P29375 1/20 0.34
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NPY5R Q15761 1/20 0.31

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
SCHEMBL1662814 0.77 JAK2 (0.53) DAOJAK2JAK1JAK3TYK2
SCHEMBL1665156 0.71 KDM4A (0.37) DAOKDM5BKDM5A
SCHEMBL1662359 0.70 ADORA1 (0.40) DAOJAK2JAK1JAK3TYK2
SCHEMBL1662466 0.70 ADORA1 (0.37) DAO
Hydrochloric Acid SCHEMBL4715433 0.63 KDM4E (0.59) JAK2JAK1JAK3TYK2
SCHEMBL21331825 0.58 DAO (0.49) DAOJAK2JAK1JAK3TYK2
SCHEMBL26686598 0.57 GCK (0.50) KDM5BKDM5A
SCHEMBL27904995 0.57 KMT2A (0.60) DAOKDM5BKDM5AHTR3AHRH4
SCHEMBL12953106 0.56 KDM5B (0.43) DAOKDM5BKDM5AHTR3AHRH4
SCHEMBL26686492 0.56 KDM5B (0.46) DAOKDM5BKDM5AHTR3AHRH4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US claimed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP claimed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO claimed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO 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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS CDK1, CDK5, TTBK1 DAO 2121/4885JAK2 799/4885JAK1 285/4885

“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.