Sugi Predict

Sugi Predict / Compounds / SCHEMBL1664770

SCHEMBL1664770

SCHEMBL1664770

O=c1cc(Cc2ccc3ccccc3c2)[nH]c2n[nH]c([C@H]3C[C@H](O)C3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ ADORA1 P30542 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ GABRA1 P14867 5/20 0.34
▸ GABRB2 P47870 4/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ DAO P14920 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL1664721 1.00 CCNB2 (0.37) CCNB2CCNE2CDK1CCNB1CCNA2
SCHEMBL1662425 0.88 CYP2D6 (0.37) CCNB2CCNE2CDK1CCNB1CCNA2
SCHEMBL1662550 0.85 CCNB2 (0.35) CCNB2CCNE2CDK1CCNB1CCNA2
SCHEMBL1662357 0.74 CDK2 (0.43) CCNA2CCNE1CDK2CCNA1CDK5
SCHEMBL1662466 0.74 ADORA1 (0.37) CCNB2CCNE2CDK1CCNB1CCNA2
SCHEMBL1665155 0.72 JAK2 (0.42) ADORA1EGFRDAOPARP1
SCHEMBL1662234 0.69 JAK2 (0.42) ADORA1DAOPARP1
SCHEMBL1662427 0.66 JAK2 (0.41) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL12005139 0.64 JAK2 (0.41) DAO
SCHEMBL1662420 0.63 DAO (0.47) DAO

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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 — — US claimed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 — — US disclosed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 — — US disclosed
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
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 CCNB2 117/4885CCNE2 365/4885CDK1 1/4885

“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.