SCHEMBL3537839

SCHEMBL3537839

Nc1cccc2c1cnn2C[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
MERTK Q12866 3/20 0.40
HTR6 P50406 1/20 0.36
PARP1 P09874 1/20 0.36
DRD2 P14416 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA3 P32297 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL9941587 0.79 DDB1 (0.44) DDB1CRBNMKNK1MKNK2
SCHEMBL9941953 0.79 PKM (0.48) DDB1CRBN
SCHEMBL5866727 0.74 KCNH2 (0.51) KCNH2MCHR1MERTKHTR6DRD2
SCHEMBL9941718 0.74 DDB1 (0.40) DDB1CRBNPIK3CD
SCHEMBL9941564 0.73 PDE8B (0.43) DDB1CRBN
SCHEMBL27228481 0.73 SCN9A (0.41) DDB1CRBNMKNK1MKNK2
SCHEMBL30860869 0.73 SCN9A (0.41) DDB1CRBNMKNK1MKNK2
SCHEMBL27227884 0.73 DDB1 (0.42) DDB1CRBNHTR6MKNK1MKNK2
SCHEMBL13860106 0.72 SIGMAR1 (0.51) KCNH2MCHR1MERTKPIK3CDABL1
SCHEMBL23412841 0.71 HTR2A (0.44) DDB1CRBNMKNK1MKNK2

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 3 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-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 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 DDB1 2956/4885CRBN 115/4885KCNH2 1387/4885

“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.