SCHEMBL3538016

SCHEMBL3538016

COc1ccccc1C(=O)Nc1ccc2c(-c3nc4ccc(N5CC(CN(C)C)OCC5C)cc4[nH]3)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.43
PDPK1 O15530 3/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 1/20 0.41
CDK4 P11802 3/20 0.40
CCNA2 P20248 3/20 0.40
CCND1 P24385 3/20 0.40
CDK2 P24941 3/20 0.40
CCND3 P30281 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
FOXO1 Q12778 1/20 0.40
CDK1 P06493 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL3538269 0.95 PDPK1 (0.47) PDPK1ABL1BCRTP53MAPT
SCHEMBL3538825 0.89 FOXO1 (0.39) PDPK1ABL1BCRCDK4CCNA2
SCHEMBL3539553 0.88 PDPK1 (0.44) PDPK1ABL1BCRCDK4CCNA2
SCHEMBL3538555 0.88 CHEK1 (0.46) CHEK1PDPK1ABL1BCRFLT3
SCHEMBL3532679 0.87 PDPK1 (0.46) CHEK1PDPK1ABL1BCRTP53
SCHEMBL5866785 0.85 PDPK1 (0.44) CHEK1PDPK1ABL1BCRTP53
SCHEMBL3537689 0.83 PDPK1 (0.48) CHEK1PDPK1ABL1BCRFLT3
SCHEMBL3532400 0.82 FGFR1 (0.54) CHEK1PDPK1ABL1BCRCDK2
SCHEMBL3532328 0.82 PDPK1 (0.52) PDPK1ABL1BCRFLT3
SCHEMBL3533655 0.82 MAPT (0.43) PDPK1ABL1BCRTP53MAPT

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 CHEK1 798/4885PDPK1 1862/4885ABL1 1/4885

“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.