SCHEMBL3133559

SCHEMBL3133559

C[C@@H](c1ccc(F)cc1)n1nnc2ccc(Nc3cc(C4CC4)[nH]n3)nc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.55
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
NUAK1 O60285 1/20 0.43

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
SCHEMBL3133566 1.00 NTRK1 (0.55) NTRK1JAK2JAK3NUAK1
SCHEMBL3124569 0.84 NTRK1 (0.55) NTRK1JAK2JAK3NUAK1
SCHEMBL3124562 0.84 NTRK1 (0.55) NTRK1JAK2JAK3NUAK1
SCHEMBL3136390 0.83 NTRK1 (0.57) NTRK1JAK2JAK3NUAK1
SCHEMBL3137646 0.83 NTRK1 (0.57) NTRK1JAK2JAK3NUAK1
SCHEMBL3136376 0.83 NTRK1 (0.57) NTRK1JAK2JAK3NUAK1
SCHEMBL3127338 0.79 NTRK1 (0.54) NTRK1JAK2JAK3
SCHEMBL3127327 0.79 NTRK1 (0.54) NTRK1JAK2JAK3
SCHEMBL2491396 0.77 NTRK1 (0.73) NTRK1JAK2JAK3
SCHEMBL3019865 0.73 NTRK1 (0.64) NTRK1JAK2JAK3NUAK1

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
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

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 NTRK1 535/4885JAK2 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.