SCHEMBL3013235

SCHEMBL3013235

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)c([N+](=O)[O-])cc2F)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.48
JAK3 P52333 10/20 0.48
NTRK1 P04629 8/20 0.45
AURKB Q96GD4 3/20 0.45
CDK2 P24941 3/20 0.45
STAT5B P51692 2/20 0.45
AURKA O14965 3/20 0.43
RET P07949 2/20 0.43
FLT3 P36888 2/20 0.43
PTK2B Q14289 2/20 0.43
PLK4 O00444 1/20 0.43
STK10 O94804 1/20 0.43
PAK4 O96013 1/20 0.43
FGFR1 P11362 1/20 0.43
FER P16591 1/20 0.43
CSNK2A2 P19784 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
STAT3 P40763 1/20 0.43
STAT5A P42229 1/20 0.43

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
SCHEMBL3020094 0.92 JAK2 (0.49) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3025255 0.89 JAK3 (0.54) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3013727 0.87 JAK2 (0.64) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL5029672 0.86 NTRK1 (0.53) JAK2JAK3NTRK1CDK2AURKA
SCHEMBL29073152 0.86 NTRK1 (0.54) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL29073154 0.86 NTRK1 (0.54) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3772070 0.83 JAK2 (0.62) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2513814 0.83 JAK3 (0.59) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3008289 0.82 NTRK1 (0.44) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3020117 0.81 JAK3 (0.55) JAK2JAK3NTRK1AURKBCDK2

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-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-08-12 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-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ABL1, MCL1, ETV6 JAK2 4/4885JAK3 10/4885NTRK1 4243/4885

“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.