SCHEMBL5000771

SCHEMBL5000771

COc1cc(Nc2nc(NCCc3ncc(F)cn3)nc(N3CCOCC3)c2F)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.53
JAK3 P52333 17/20 0.53
GRK6 P43250 1/20 0.39
PLK4 O00444 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL218817 0.83 JAK2 (0.73) JAK2JAK3
SCHEMBL4982579 0.81 JAK2 (0.80) JAK2JAK3
SCHEMBL219030 0.79 JAK2 (0.47) JAK2JAK3NTRK1
SCHEMBL217138 0.77 JAK2 (0.82) JAK2JAK3PLK4NTRK1
SCHEMBL251027 0.72 JAK2 (0.51) JAK2JAK3
SCHEMBL3937609 0.72 ALOX15 (0.61) JAK2JAK3PLK4NTRK1
SCHEMBL220017 0.71 JAK3 (0.88) JAK2JAK3PLK4NTRK1
SCHEMBL3638000 0.69 RAF1 (0.49) JAK2JAK3
SCHEMBL220721 0.68 JAK3 (0.79) JAK2JAK3NTRK1
SCHEMBL4009997 0.67 JAK3 (0.57) JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US claimed

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-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 JAK2 35/4885JAK3 13/4885GRK6 356/4885

“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.