SCHEMBL3536646

SCHEMBL3536646

Cn1c(-c2n[nH]c3ccc(Oc4ccccn4)cc23)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.42
TTK P33981 1/20 0.41
PPARG P37231 1/20 0.40
GCK P35557 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.38
SCN7A Q01118 2/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 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
SCHEMBL3538710 0.87 CHEK2 (0.45) TTKRPS6KB1GSK3BMEN1KMT2A
SCHEMBL3538887 0.87 BRAF (0.37) DRD1TTKGCKKDRNTRK1
SCHEMBL3541245 0.86 TTK (0.40) TTKRPS6KB1GSK3BMEN1KMT2A
SCHEMBL3532370 0.85 HTT (0.47) TTKMEN1KMT2AKDM4ELMNA
SCHEMBL3538380 0.84 SCN9A (0.45) TTKRPS6KB1GSK3BMEN1KMT2A
SCHEMBL3541863 0.84 TTK (0.40) TTKRPS6KB1GSK3BMEN1KMT2A
SCHEMBL3538583 0.83 ABL1 (0.47) TTKMEN1KMT2AKDM4ELMNA
SCHEMBL3535791 0.83 TP53 (0.47) TTKRPS6KB1MEN1KMT2AKDM4E
SCHEMBL3538797 0.82 MAP2K4 (0.42) TTKPPARGRPS6KB1GSK3BMEN1
SCHEMBL3536897 0.82 KDM4E (0.43) TTKPPARGRPS6KB1GSK3BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK DRD1 4375/4885TTK 444/4885PPARG 3905/4885

“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.