SCHEMBL2567231

SCHEMBL2567231

C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(Cl)cc1C#N)c1ncc(F)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.63
JAK3 P52333 7/20 0.63
NTRK1 P04629 13/20 0.61
AURKB Q96GD4 3/20 0.56
CDK2 P24941 3/20 0.56
STAT5B P51692 2/20 0.56
AURKA O14965 2/20 0.52
RET P07949 2/20 0.52
FLT3 P36888 2/20 0.52
PTK2B Q14289 2/20 0.52
PLK4 O00444 1/20 0.52
STK10 O94804 1/20 0.52
PAK4 O96013 1/20 0.52
FGFR1 P11362 1/20 0.52
FER P16591 1/20 0.52
CSNK2A2 P19784 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
STAT3 P40763 1/20 0.52
STAT5A P42229 1/20 0.52

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
SCHEMBL2567233 1.00 JAK2 (0.63) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2569557 0.89 JAK3 (0.77) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2569562 0.89 JAK3 (0.77) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2578876 0.86 JAK3 (0.78) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL217828 0.83 JAK2 (0.82) JAK2JAK3NTRK1AURKBAURKA
SCHEMBL2488532 0.81 JAK2 (0.74) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL17044033 0.81 JAK2 (0.74) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2485539 0.80 JAK3 (0.77) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2485537 0.80 JAK3 (0.77) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL217071 0.78 JAK2 (1.00) JAK2JAK3NTRK1AURKBAURKA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
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-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP 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 (3 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 JAK2 341/4885JAK3 697/4885NTRK1 86/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 JAK2 226/4885JAK3 263/4885NTRK1 1107/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 JAK2 1797/4885JAK3 2868/4885NTRK1 3837/4885

“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.