SCHEMBL3133512

SCHEMBL3133512

CC(C)Oc1cc(Nc2nc3c(cc2Cl)ncn3C(C)c2ccc(F)cc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.47
NTRK1 P04629 12/20 0.44
JAK2 O60674 4/20 0.37
JAK3 P52333 3/20 0.37
KCNH2 Q12809 2/20 0.36
GRK6 P43250 3/20 0.36
FGFR1 P11362 2/20 0.35
FLT3 P36888 2/20 0.35
PTK2 Q05397 2/20 0.35
BTK Q06187 2/20 0.35
ALK Q9UM73 2/20 0.35
ABL1 P00519 1/20 0.35
FGR P09769 1/20 0.35
SRC P12931 1/20 0.35
PHKG2 P15735 1/20 0.35
FLT4 P35916 1/20 0.35
SIK1 P57059 1/20 0.35
MAP3K9 P80192 1/20 0.35
ITK Q08881 1/20 0.35
MAPK14 Q16539 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
SCHEMBL3129678 1.00 NUAK1 (0.47) NUAK1NTRK1JAK2JAK3KCNH2
SCHEMBL3123733 0.91 KCNH2 (0.42) NUAK1NTRK1JAK2JAK3KCNH2
SCHEMBL3123723 0.91 KCNH2 (0.42) NUAK1NTRK1JAK2JAK3KCNH2
SCHEMBL3136074 0.85 NTRK1 (0.45) NTRK1JAK2KCNH2GRK6FGFR1
SCHEMBL3136094 0.85 NTRK1 (0.45) NTRK1JAK2KCNH2GRK6FGFR1
SCHEMBL3263756 0.84 NTRK1 (0.41) NTRK1JAK2JAK3KCNH2GRK6
SCHEMBL28766462 0.84 NTRK1 (0.41) NTRK1JAK2JAK3KCNH2GRK6
SCHEMBL3124301 0.83 NUAK1 (0.68) NUAK1NTRK1JAK2JAK3IGF1R
SCHEMBL3124294 0.83 NUAK1 (0.68) NUAK1NTRK1JAK2JAK3IGF1R
SCHEMBL3021633 0.80 KCNH2 (0.52) NTRK1JAK2JAK3KCNH2GRK6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP claimed
US-7622482-B2 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA (SE) 2009-11-24 US claimed
US-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA AB (SE) 2009-05-28 US claimed
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed
US-7622482-B2 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA (SE) 2009-11-24 US disclosed
US-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA AB (SE) 2009-05-28 US disclosed
CN-101119996-A chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN 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-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ERBB4, ERBB2, ABL1 NUAK1 185/4885NTRK1 535/4885JAK2 61/4885

“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.