SCHEMBL3534641

SCHEMBL3534641

CC1COC(CN(C)C)CN1c1ccc2nc(-c3n[nH]c4ccc(NS(=O)(=O)c5ccccc5)cc34)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.43
ABL1 P00519 5/20 0.43
BCR P11274 5/20 0.43
ITK Q08881 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL3533655 0.94 MAPT (0.43) PDPK1ABL1BCRITKNPC1
SCHEMBL5866748 0.92 ITK (0.46) PDPK1ABL1BCRITKMAPT
SCHEMBL5866637 0.89 TTK (0.43) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL3535987 0.88 MAPT (0.38) PDPK1ABL1BCRNPC1RAB9A
SCHEMBL3537932 0.87 PDPK1 (0.41) PDPK1ABL1BCRNPC1RAB9A
SCHEMBL3532400 0.85 FGFR1 (0.54) PDPK1ABL1BCRITKFLT3
SCHEMBL3532328 0.85 PDPK1 (0.52) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL15868927 0.84 FGFR1 (0.45) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL5866797 0.83 PDPK1 (0.51) PDPK1ABL1BCRMAPTSMN1; SMN2
SCHEMBL3541480 0.82 FGFR1 (0.46) PDPK1ABL1BCRFLT3FGFR1

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 2 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-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 1862/4885ABL1 1/4885BCR 94/4885

“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.