SCHEMBL3592847

SCHEMBL3592847

O=c1[nH]ccc2[nH][c]nc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
JAK1 P23458 2/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL11123356 0.67 PNP (0.53) JAK2JAK1PIM1PARP1
SCHEMBL21433115 0.65 JAK2 (0.33) JAK2JAK1PIM1PIM2PARP1
SCHEMBL1357471 0.64 DYRK1A (0.46) JAK2JAK1PARP1
SCHEMBL15333871 0.63 PARP1 (0.38) JAK2JAK1PARP1
SCHEMBL15157178 0.61 GPR84 (0.32)
SCHEMBL558260 0.61 PARP1 (0.34) PARP1MAPT
SCHEMBL407499 0.61 PSMD14 (0.36)
SCHEMBL1886180 0.61 PSMB8 (0.41) JAK2PIM1PARP1
SCHEMBL811368 0.61 NOS1 (0.38)
SCHEMBL3226179 0.60 KDR (0.35) JAK2

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
EP-1781653-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 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 (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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 JAK2 734/4885JAK1 219/4885PIM1 313/4885
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors CDK3, CDK1, GSK3B JAK2 728/4885JAK1 576/4885PIM1 538/4885

“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.