SCHEMBL1665156

SCHEMBL1665156

O=c1cc(Cc2ccc(Cl)c(Cl)c2)[nH]c2n[nH]c(C3=CC=C3)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
DAO P14920 2/20 0.36
TYMP P19971 1/20 0.35
EGFR P00533 1/20 0.34
RNASEH1 O60930 1/20 0.34
PNP P00491 1/20 0.33
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL1662422 0.80 DAO (0.48) DAO
SCHEMBL1665155 0.76 JAK2 (0.42) KDM4AKDM5AKDM5BDAOTYMP
SCHEMBL2457421 0.62 ALKBH3 (0.36) KDM4AKDM5AKDM5BDAOTYMP
Hydrochloric Acid SCHEMBL4715433 0.62 KDM4E (0.59) ALDH1A1
SCHEMBL4715014 0.60 MAP4K4 (0.58) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL1662425 0.59 CYP2D6 (0.37) DAOEGFRADORA1
SCHEMBL3298586 0.58 IDO1 (0.64) POLBALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7494967 0.57 PCSK9 (0.50) KDM4AKDM5AKDM5BSLC6A2SLC6A4
SCHEMBL5153636 0.56 LMNA (0.48) KDM4AKDM5AKDM5BMEN1KMT2A
SCHEMBL5103929 0.55 ADORA2A (0.48) KDM4AKDM5AKDM5BEGFRADORA2A

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 4 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
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 KDM4A 1604/4885KDM5A 1620/4885KDM5B 1720/4885

“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.