Sugi Predict

Sugi Predict / Compounds / SCHEMBL1662357

SCHEMBL1662357

SCHEMBL1662357

O=c1cc(Cc2ccc(-c3ccccc3)cc2)[nH]c2n[nH]c(C3CCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ JAK1 P23458 4/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ ADORA1 P30542 1/20 0.40
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ PDE9A O76083 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ DAO P14920 3/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK13 Q14004 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL1662463 0.87 JAK2 (0.41) CDK2CCNE1CDK5CDK5R1JAK2
SCHEMBL1662427 0.86 JAK2 (0.41) CDK2CCNE1CDK9CDK5CDK5R1
SCHEMBL1665155 0.83 JAK2 (0.42) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL1662234 0.83 JAK2 (0.42) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL12005139 0.78 JAK2 (0.41) JAK2JAK1JAK3TYK2MAPK1
SCHEMBL1662425 0.76 CYP2D6 (0.37) CDK2CCNE1CDK5CDK5R1JAK2
SCHEMBL1662420 0.76 DAO (0.47) JAK2JAK1JAK3TYK2DAO
SCHEMBL1662359 0.76 ADORA1 (0.40) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL1662814 0.75 JAK2 (0.53) JAK2JAK1JAK3TYK2DAO
SCHEMBL1803252 0.75 JAK2 (0.59) JAK2JAK1JAK3TYK2ADORA1

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 9 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
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 CDK2 5/4885CCNE1 116/4885CDK9 33/4885

“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.