SCHEMBL3134973

SCHEMBL3134973

OC[C@@H](c1ccc(F)cc1)n1cnc2cnc(Nc3cc(C4CC4)[nH]n3)nc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.55
NUAK1 O60285 1/20 0.47
IGF1R P08069 2/20 0.45

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
SCHEMBL3132279 0.88 NTRK1 (0.50) NTRK1NUAK1
SCHEMBL3132267 0.88 NTRK1 (0.50) NTRK1NUAK1
SCHEMBL27711294 0.87 NTRK1 (0.56) NTRK1NUAK1IGF1R
SCHEMBL3137395 0.87 NTRK1 (0.56) NTRK1NUAK1IGF1R
SCHEMBL3126574 0.86 NUAK1 (0.56) NTRK1NUAK1
SCHEMBL3126595 0.86 NUAK1 (0.56) NTRK1NUAK1
SCHEMBL3133172 0.86 NTRK1 (0.46) NTRK1
SCHEMBL3127072 0.85 NUAK1 (0.68) NTRK1NUAK1IGF1R
SCHEMBL3127054 0.85 NUAK1 (0.68) NTRK1NUAK1IGF1R
SCHEMBL3127355 0.79 NUAK1 (0.73) NTRK1NUAK1IGF1R

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 535/4885NUAK1 185/4885IGF1R 253/4885

“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.