SCHEMBL14840573

SCHEMBL14840573

C[C@@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1C#N)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 1.00
JAK3 P52333 5/20 1.00
LIMK1 P53667 1/20 0.74
LIMK2 P53671 1/20 0.74
NTRK1 P04629 13/20 0.70
MUSK O15146 1/20 0.57
LCK P06239 1/20 0.57
RET P07949 1/20 0.57
FGFR3 P22607 1/20 0.57
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
FLT3 P36888 1/20 0.57
PTK2B Q14289 1/20 0.57
IGF1R P08069 1/20 0.49

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
SCHEMBL2490059 1.00 JAK2 (1.00) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2490060 1.00 JAK2 (1.00) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2489844 0.90 JAK3 (0.82) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2488126 0.90 JAK3 (0.82) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2485809 0.90 JAK3 (0.82) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2485537 0.87 JAK3 (0.77) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2485539 0.87 JAK3 (0.77) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL5027420 0.87 JAK2 (0.76) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL4883698 0.86 JAK2 (0.76) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2487088 0.86 JAK3 (0.76) 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 2 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

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-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 JAK2 226/4885JAK3 263/4885LIMK1 490/4885

“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.