SCHEMBL3129694

SCHEMBL3129694

C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(Cl)cc1N)c1ccc(F)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.85
JAK2 O60674 1/20 0.66
JAK3 P52333 1/20 0.66
NUAK1 O60285 1/20 0.51

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
SCHEMBL4696037 0.96 NTRK1 (0.85) NTRK1JAK2JAK3NUAK1
SCHEMBL5029662 0.92 NTRK1 (1.00) NTRK1JAK2JAK3NUAK1
SCHEMBL27872721 0.86 NTRK1 (0.73) NTRK1JAK2JAK3NUAK1
SCHEMBL2569980 0.86 NTRK1 (0.73) NTRK1JAK2JAK3NUAK1
SCHEMBL3127022 0.85 NTRK1 (0.68) NTRK1JAK2JAK3
SCHEMBL2573694 0.85 NTRK1 (0.78) NTRK1JAK2JAK3NUAK1
SCHEMBL2634646 0.83 NTRK1 (0.72) NTRK1JAK2JAK3
SCHEMBL4160441 0.83 NTRK1 (0.82) NTRK1JAK2JAK3
SCHEMBL57691 0.83 NTRK1 (0.78) NTRK1JAK2JAK3NUAK1
SCHEMBL4696873 0.83 NTRK1 (0.78) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 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 (4 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK NTRK1 86/4885JAK2 341/4885JAK3 697/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 NTRK1 1107/4885JAK2 226/4885JAK3 263/4885
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
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NTRK1 3837/4885JAK2 1797/4885JAK3 2868/4885

“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.