SCHEMBL3124459

SCHEMBL3124459

Cc1cc(Nc2nc3c(cc2Cl)ncn3C(CO)c2ccc(F)cc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.51
NUAK1 O60285 1/20 0.49
KCNH2 Q12809 1/20 0.47
JAK3 P52333 7/20 0.45
JAK2 O60674 7/20 0.45
JAK1 P23458 4/20 0.45
TYK2 P29597 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C8 P10632 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
CYP1A2 P05177 1/20 0.45
AURKA O14965 2/20 0.41
PLK4 O00444 2/20 0.41
STK10 O94804 1/20 0.41
PAK4 O96013 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
FER P16591 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
SCHEMBL3124443 1.00 NTRK1 (0.51) NTRK1NUAK1KCNH2JAK3JAK2
SCHEMBL3137061 0.91 KCNH2 (0.54) NTRK1KCNH2JAK3JAK2JAK1
SCHEMBL3137082 0.91 KCNH2 (0.54) NTRK1KCNH2JAK3JAK2JAK1
SCHEMBL3129771 0.89 NTRK1 (0.53) NTRK1NUAK1KCNH2JAK3JAK2
SCHEMBL3129783 0.89 NTRK1 (0.53) NTRK1NUAK1KCNH2JAK3JAK2
SCHEMBL3127072 0.86 NUAK1 (0.68) NTRK1NUAK1
SCHEMBL3127054 0.86 NUAK1 (0.68) NTRK1NUAK1
SCHEMBL3132402 0.85 NTRK1 (0.46) NTRK1KCNH2JAK3JAK2JAK1
SCHEMBL3132425 0.85 NTRK1 (0.46) NTRK1KCNH2JAK3JAK2JAK1
SCHEMBL3133172 0.84 NTRK1 (0.46) NTRK1KCNH2JAK3JAK2JAK1

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 6 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-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP claimed
WO-2006087538-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 WO 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 NTRK1 535/4885NUAK1 185/4885KCNH2 2439/4885

“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.