SCHEMBL2887520

SCHEMBL2887520

O=c1[nH]nc(-c2cc3ccccc3s2)c2c1[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
ITK Q08881 2/20 0.42
DYRK1A Q13627 2/20 0.41
MAPKAPK2 P49137 1/20 0.40
CNR1 P21554 1/20 0.40
CHEK1 O14757 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MAP3K9 P80192 1/20 0.39
MAP3K11 Q16584 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL2882160 0.77 GSK3B (0.56) GSK3AGSK3BITKDYRK1ACHEK1
SCHEMBL2886445 0.71 SIRT2 (0.39) MAPKAPK2CDK4CCND1SIRT2SIRT1
SCHEMBL2884573 0.71 GSK3A (0.55) TNKSTNKS2GSK3AGSK3BDYRK1A
SCHEMBL2889514 0.71 GSK3A (0.58) TNKSTNKS2GSK3AGSK3BDYRK1A
SCHEMBL1297498 0.69 KIF11 (0.46) CNR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8788097 0.69 ALDH1A1 (0.47) ITKMAPKAPK2MAPK10CYP1A2SMN1; SMN2
SCHEMBL2879931 0.68 DYRK1A (0.78) TNKSTNKS2GSK3AGSK3BITK
SCHEMBL2886586 0.67 NPSR1 (0.58) GSK3AGSK3BDYRK1ACHEK1CDK4
SCHEMBL2883997 0.67 CNR1 (0.40) GSK3AGSK3BDYRK1ACNR1CHEK1
SCHEMBL2864567 0.66 MAPKAPK2 (0.48) ITKMAPKAPK2SIRT2SIRT1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035429-B1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON INC (US) 2012-09-19 EP disclosed
EP-2035429-B1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON INC (US) 2012-09-19 EP disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
WO-2007149557-A1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON, INC. (US) 2007-12-27 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-20070299061-A1 Fused [d]pyridazin-7-ones CDK5, CDK5R1, CDK7 TNKS 305/4885TNKS2 294/4885GSK3A 503/4885

“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.