SCHEMBL4716805

SCHEMBL4716805

Cc1cc(=O)[nH]c2c1c(C1=CC=C1)nn2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.39
PARP1 P09874 2/20 0.39
HPGD P15428 1/20 0.39
SHMT2 P34897 2/20 0.34
JAK1 P23458 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PDGFRA P16234 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CDK9 P50750 1/20 0.32
PRKX P51817 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 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
SCHEMBL4711494 0.84 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1PARP1HPGD
SCHEMBL4713927 0.76 HCAR1 (0.31)
SCHEMBL4716803 0.70 PARP1 (0.43) KDM4EHSD17B10ALDH1A1PARP1HPGD
SCHEMBL4714881 0.70 PARP1 (0.33) PARP1
SCHEMBL4713994 0.67 KDM4E (0.53) KDM4EHSD17B10PARP1HPGDJAK1
SCHEMBL4711005 0.66 MEN1 (0.37) KDM4EHSD17B10ALDH1A1PARP1HPGD
SCHEMBL1694536 0.65 PARP1 (0.46) KDM4EHSD17B10ALDH1A1PARP1HPGD
Hydrochloric Acid SCHEMBL4715433 0.61 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDJAK1
SCHEMBL6845090 0.59 KDM4E (0.58) KDM4EHSD17B10ALDH1A1PARP1HPGD
SCHEMBL12322233 0.55 PARP1 (0.50) PARP1HPGDSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641454-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-10-01 EP disclosed
EP-1641455-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-08-06 EP disclosed
US-7300943-B2 GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 US disclosed
US-7300944-B2 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 US disclosed
EP-1641454-A1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-04-05 EP disclosed
US-20050026946-A1 GSK-3 inhibitors PFIZER INC 2005-02-03 US disclosed
WO-2005000303-A1 PYRAZOLO`3,4-B!PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-01-06 WO disclosed
US-20040266815-A1 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors PFIZER INC 2004-12-30 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 (2 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-20050026946-A1 GSK-3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 2004/4885HSD17B10 387/4885ALDH1A1 1553/4885
US-20040266815-A1 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 2008/4885HSD17B10 1084/4885ALDH1A1 1349/4885

“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.