SCHEMBL3539176

SCHEMBL3539176

CC1COC(CN(C)C)CN1c1ccc2[nH]c(-c3n[nH]c4cc(O)ccc34)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.42
CCNA2 P20248 12/20 0.42
CCND1 P24385 12/20 0.42
CDK2 P24941 12/20 0.42
CCND3 P30281 12/20 0.42
CHEK1 O14757 8/20 0.42
KDR P35968 3/20 0.42
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
TYK2 P29597 5/20 0.40
JAK3 P52333 5/20 0.40
ITK Q08881 1/20 0.40
FGFR1 P11362 2/20 0.39
LCK P06239 1/20 0.39
CDK1 P06493 1/20 0.37

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
SCHEMBL3541030 0.94 ITK (0.39) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3537078 0.90 FGFR1 (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3545099 0.86 FGFR1 (0.33) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3540634 0.85 PDPK1 (0.34) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3535364 0.84 FLT3 (0.42) KDRFGFR1
SCHEMBL5866702 0.84 CHEK1 (0.44) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL6583189 0.83 PDPK1 (0.44) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3536351 0.83 CDK4 (0.42) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3535767 0.83 FGFR1 (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3532400 0.83 FGFR1 (0.54) CDK2CHEK1KDRJAK2TYK2

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 CDK4 646/4885CCNA2 3156/4885CCND1 3690/4885

“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.