SCHEMBL1662420

SCHEMBL1662420

O=c1cc(Cc2c(F)cccc2Cl)[nH]c2n[nH]c(C3CCC3)c12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
JAK3 P52333 3/20 0.42
TYK2 P29597 2/20 0.42
AKR1B1 P15121 1/20 0.38
NR3C1 P04150 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.33
BTK Q06187 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
SCHEMBL1665155 0.79 JAK2 (0.42) DAOJAK2JAK1JAK3TYK2
SCHEMBL1662422 0.77 DAO (0.48) DAOAKR1B1LMNATP53LCK
SCHEMBL1662357 0.76 CDK2 (0.43) DAOJAK2JAK1JAK3TYK2
SCHEMBL1662463 0.74 JAK2 (0.41) JAK2JAK1JAK3TYK2
SCHEMBL12019137 0.73 JAK2 (0.41) JAK2JAK1JAK3TYK2
SCHEMBL1662234 0.73 JAK2 (0.42) DAOJAK2JAK1JAK3TYK2
SCHEMBL1801291 0.68 JAK1 (0.57) JAK2JAK1JAK3TYK2
Hydrochloric Acid SCHEMBL4714401 0.67 JAK1 (0.56) JAK2JAK1JAK3TYK2
SCHEMBL1803252 0.64 JAK2 (0.59) JAK2JAK1JAK3TYK2PLAT
SCHEMBL6367286 0.64 LMNA (0.40) DAOAKR1B1NR3C1LMNATP53

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
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

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.