SCHEMBL759859

SCHEMBL759859

c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5ccc[nH]5)c4c3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.62
TTK P33981 1/20 0.49
NTRK1 P04629 1/20 0.48
CLK2 P49760 5/20 0.47
CLK3 P49761 5/20 0.47
DYRK1A Q13627 5/20 0.47
CDK7 P50613 3/20 0.45
CDK2 P24941 3/20 0.45
PRKACA P17612 2/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
WNT1 P04628 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
CDC7 O00311 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL18446785 0.84 CLK2 (0.62) AKT1TTKCLK2CLK3DYRK1A
SCHEMBL18446998 0.83 CLK3 (0.62) AKT1TTKNTRK1CLK2CLK3
SCHEMBL20454729 0.83 CLK3 (0.64) TTKCLK2CLK3DYRK1A
SCHEMBL20397972 0.82 CLK2 (0.69) CLK2CLK3DYRK1AWNT1
SCHEMBL20455018 0.81 CLK2 (0.66) CLK2CLK3DYRK1AMKNK1
SCHEMBL18441099 0.81 CDK7 (0.49) AKT1TTKNTRK1CLK2CLK3
SCHEMBL18447230 0.81 DYRK1A (0.64) CLK2CLK3DYRK1A
SCHEMBL20465648 0.81 CLK3 (0.68) CLK2CLK3DYRK1A
SCHEMBL20454874 0.80 CLK2 (0.56) CLK2CLK3DYRK1A
SCHEMBL18444267 0.80 CLK2 (0.63) CLK2CLK3DYRK1AWNT1

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 11 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
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

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 1300/4885TTK 3720/4885NTRK1 4301/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 AKT1 1300/4885TTK 3720/4885NTRK1 4301/4885

“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.