SCHEMBL760763

SCHEMBL760763

c1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.65
CLK3 P49761 7/20 0.65
CLK2 P49760 6/20 0.65
WNT1 P04628 2/20 0.56
MAP2K4 P45985 1/20 0.56
IDO1 P14902 1/20 0.54
LRRK2 Q5S007 1/20 0.54
MKNK1 Q9BUB5 1/20 0.51
MAP3K5 Q99683 1/20 0.50
NTRK1 P04629 1/20 0.50
AKT1 P31749 1/20 0.49
CDK7 P50613 1/20 0.49
PIM1 P11309 1/20 0.49

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
SCHEMBL5510153 0.85 MKNK1 (0.67) DYRK1ACLK3CLK2LRRK2MKNK1
SCHEMBL758691 0.84 AKT1 (0.52) DYRK1ACLK3CLK2WNT1MAP2K4
SCHEMBL5514698 0.83 MKNK1 (0.72) DYRK1ACLK3CLK2WNT1MAP2K4
SCHEMBL18446560 0.79 CLK3 (0.82) DYRK1ACLK3CLK2WNT1IDO1
SCHEMBL18482640 0.79 CLK3 (0.82) DYRK1ACLK3CLK2WNT1MAP2K4
SCHEMBL18485128 0.79 CLK3 (1.00) DYRK1ACLK3CLK2WNT1
SCHEMBL18487462 0.78 DYRK1A (0.69) DYRK1ACLK3CLK2WNT1MAP2K4
SCHEMBL18441945 0.78 DYRK1A (0.78) DYRK1ACLK3CLK2WNT1
SCHEMBL20455095 0.78 DYRK1A (0.82) DYRK1ACLK3CLK2WNT1MAP2K4
SCHEMBL10213963 0.77 JAK2 (0.69) DYRK1ACLK3CLK2WNT1MAP2K4

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 DYRK1A 3722/4885CLK3 1887/4885CLK2 2684/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 DYRK1A 3722/4885CLK3 1887/4885CLK2 2684/4885

“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.