SCHEMBL3139815

SCHEMBL3139815

Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c([N+](=O)[O-])cc2F)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.68
JAK3 P52333 10/20 0.68
LIMK1 P53667 1/20 0.68
LIMK2 P53671 1/20 0.68
NTRK1 P04629 7/20 0.56
CDK2 P24941 2/20 0.52
MUSK O15146 1/20 0.52
LCK P06239 1/20 0.52
RET P07949 1/20 0.52
FGFR3 P22607 1/20 0.52
CCNE1 P24864 1/20 0.52
FLT3 P36888 1/20 0.52
PTK2B Q14289 1/20 0.52
AURKB Q96GD4 2/20 0.47
AURKA O14965 1/20 0.47
STAT5B P51692 1/20 0.44
GRK6 P43250 2/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C8 P10632 3/20 0.44
CYP2C9 P11712 3/20 0.44

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
SCHEMBL4695260 0.89 NTRK1 (0.60) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL3028266 0.87 JAK3 (0.70) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2565249 0.87 JAK3 (0.52) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2565254 0.87 JAK3 (0.52) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL5029672 0.87 NTRK1 (0.53) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2565335 0.86 NTRK1 (0.76) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL3124552 0.86 NTRK1 (0.76) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL3013727 0.85 JAK2 (0.64) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL3140902 0.83 JAK2 (0.74) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL3772070 0.82 JAK2 (0.62) JAK2JAK3LIMK1LIMK2NTRK1

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 JAK2 61/4885JAK3 32/4885LIMK1 461/4885

“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.