SCHEMBL3540634

SCHEMBL3540634

CC1COC(CN(C)C)CN1c1ccc2[nH]c(-c3n[nH]c4cccc(O)c34)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.34
CDK2 P24941 5/20 0.33
CDK4 P11802 4/20 0.33
CCNA2 P20248 4/20 0.33
CCND1 P24385 4/20 0.33
CCND3 P30281 4/20 0.33
FGFR1 P11362 5/20 0.32
FLT1 P17948 5/20 0.32
FLT3 P36888 1/20 0.32
PAK4 O96013 1/20 0.32
CHEK1 O14757 2/20 0.32
KDR P35968 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ITK Q08881 4/20 0.31

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
SCHEMBL3545099 0.88 FGFR1 (0.33) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3541030 0.85 ITK (0.39) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3539176 0.85 CDK4 (0.42) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5866896 0.84 FGFR1 (0.39) PDPK1CDK2FGFR1FLT1FLT3
SCHEMBL6583189 0.83 PDPK1 (0.44) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3536592 0.83 FGFR1 (0.40) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3537078 0.82 FGFR1 (0.43) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3538875 0.81 PDPK1 (0.49) PDPK1FGFR1FLT1FLT3
SCHEMBL3538199 0.81 FGFR1 (0.42) PDPK1FGFR1FLT1FLT3KDR
SCHEMBL3532400 0.80 FGFR1 (0.54) PDPK1CDK2FGFR1FLT1FLT3

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 PDPK1 1862/4885CDK2 609/4885CDK4 646/4885

“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.