SCHEMBL758691

SCHEMBL758691

Oc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.52
CDK7 P50613 1/20 0.51
CLK3 P49761 14/20 0.50
DYRK1A Q13627 14/20 0.50
CLK2 P49760 13/20 0.48
WNT1 P04628 1/20 0.48
MKNK1 Q9BUB5 1/20 0.45
MAPKAPK2 P49137 2/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K4 P45985 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
MAPK6 Q16659 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42

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
SCHEMBL760763 0.84 DYRK1A (0.65) AKT1CDK7CLK3DYRK1ACLK2
SCHEMBL5510153 0.82 MKNK1 (0.67) AKT1CLK3DYRK1ACLK2MKNK1
SCHEMBL18447292 0.80 CLK3 (0.66) CDK7CLK3DYRK1ACLK2WNT1
SCHEMBL759859 0.80 AKT1 (0.62) AKT1CDK7CLK3DYRK1ACLK2
SCHEMBL18446085 0.78 CLK3 (0.65) CLK3DYRK1ACLK2WNT1
SCHEMBL18447633 0.78 DYRK1A (0.64) CLK3DYRK1ACLK2WNT1
SCHEMBL18444198 0.78 CLK3 (0.73) CLK3DYRK1ACLK2
SCHEMBL18441528 0.78 CLK3 (0.77) CLK3DYRK1ACLK2WNT1
SCHEMBL18448245 0.77 CLK3 (0.86) CLK3DYRK1ACLK2
SCHEMBL18447041 0.76 DYRK1A (0.61) CLK3DYRK1ACLK2WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
CN-101437519-A Indazole compounds ABBOTT LAB (US) 2009-05-20 CN disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 AKT1 1300/4885CDK7 693/4885CLK3 1887/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 AKT1 1300/4885CDK7 693/4885CLK3 1887/4885

“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.