SCHEMBL3123733

SCHEMBL3123733

CC(C)Oc1cc(Nc2nc3c(cc2F)ncn3C(C)c2ccc(F)cc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
JAK2 O60674 7/20 0.40
JAK3 P52333 6/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
NTRK1 P04629 8/20 0.38
NUAK1 O60285 1/20 0.37
ABL1 P00519 1/20 0.36
FGR P09769 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PHKG2 P15735 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
SIK1 P57059 1/20 0.36
MAP3K9 P80192 1/20 0.36
PTK2 Q05397 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL3123723 1.00 KCNH2 (0.42) KCNH2JAK2JAK3LIMK1LIMK2
SCHEMBL3133512 0.91 NUAK1 (0.47) KCNH2JAK2JAK3NTRK1NUAK1
SCHEMBL3129678 0.91 NUAK1 (0.47) KCNH2JAK2JAK3NTRK1NUAK1
SCHEMBL3021633 0.88 KCNH2 (0.52) KCNH2JAK2JAK3NTRK1ABL1
SCHEMBL3029292 0.87 NTRK1 (0.44) KCNH2JAK2JAK3NTRK1ABL1
SCHEMBL3136094 0.87 NTRK1 (0.45) KCNH2JAK2NTRK1ABL1FGR
SCHEMBL3136074 0.87 NTRK1 (0.45) KCNH2JAK2NTRK1ABL1FGR
SCHEMBL3133128 0.87 JAK3 (0.53) KCNH2JAK2JAK3LIMK1LIMK2
SCHEMBL3139531 0.87 JAK3 (0.53) KCNH2JAK2JAK3LIMK1LIMK2
SCHEMBL3263756 0.85 NTRK1 (0.41) KCNH2JAK2JAK3NTRK1ABL1

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 4 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

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 KCNH2 2439/4885JAK2 61/4885JAK3 32/4885

“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.