SCHEMBL1665155

SCHEMBL1665155

O=c1cc(Cc2ccc(Cl)c(Cl)c2)[nH]c2n[nH]c(C3CCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
JAK3 P52333 4/20 0.42
TYK2 P29597 3/20 0.42
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
DAO P14920 2/20 0.35
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35
TYMP P19971 1/20 0.34
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 3/20 0.33
RNASEH1 O60930 1/20 0.33
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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 0.84 JAK2 (0.41) JAK2JAK1JAK3TYK2EGFR
SCHEMBL1662357 0.83 CDK2 (0.43) JAK2JAK1JAK3TYK2DAO
SCHEMBL1662234 0.83 JAK2 (0.42) JAK2JAK1JAK3TYK2DAO
SCHEMBL1662420 0.79 DAO (0.47) JAK2JAK1JAK3TYK2DAO
SCHEMBL12019137 0.77 JAK2 (0.41) JAK2JAK1JAK3TYK2MAPK1
SCHEMBL1665156 0.76 KDM4A (0.37) KDM4AKDM5AKDM5BDAOTYMP
SCHEMBL1662425 0.73 CYP2D6 (0.37) JAK2JAK1JAK3TYK2DAO
SCHEMBL1664721 0.72 CCNB2 (0.37) DAOEGFRPARP1ADORA1
SCHEMBL1664718 0.72 CCNB2 (0.37) DAOEGFRPARP1ADORA1
SCHEMBL2457418 0.64 CCR2 (0.42) CCR2CCR5

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
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

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 JAK2 799/4885JAK1 285/4885JAK3 402/4885

“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.