SCHEMBL3025255

SCHEMBL3025255

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c([N+](=O)[O-])cc2F)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.54
NTRK1 P04629 9/20 0.54
CDK2 P24941 3/20 0.54
FLT3 P36888 3/20 0.54
LCK P06239 2/20 0.54
RET P07949 2/20 0.54
MUSK O15146 1/20 0.54
FGFR3 P22607 1/20 0.54
CCNE1 P24864 1/20 0.54
PTK2B Q14289 1/20 0.54
JAK2 O60674 12/20 0.47
AURKB Q96GD4 2/20 0.47
STAT5B P51692 1/20 0.47
AURKA O14965 4/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
IGF1R P08069 2/20 0.44
FGFR1 P11362 2/20 0.44
PTK2 Q05397 2/20 0.44
BTK Q06187 2/20 0.44

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
SCHEMBL3020117 0.92 JAK3 (0.55) JAK3NTRK1CDK2FLT3LCK
SCHEMBL3774173 0.90 JAK3 (0.53) JAK3NTRK1CDK2FLT3LCK
SCHEMBL3008289 0.90 NTRK1 (0.44) JAK3NTRK1CDK2FLT3LCK
SCHEMBL3013235 0.89 JAK2 (0.48) JAK3NTRK1CDK2FLT3LCK
SCHEMBL5029672 0.88 NTRK1 (0.53) JAK3NTRK1CDK2FLT3LCK
SCHEMBL3028266 0.88 JAK3 (0.70) JAK3NTRK1CDK2FLT3LCK
SCHEMBL10027491 0.85 JAK3 (0.58) JAK3NTRK1CDK2FLT3LCK
SCHEMBL422361 0.83 JAK3 (0.77) JAK3NTRK1CDK2FLT3LCK
SCHEMBL422468 0.83 JAK3 (0.77) JAK3NTRK1CDK2FLT3LCK
SCHEMBL29794832 0.82 JAK2 (0.58) JAK3NTRK1CDK2FLT3LCK

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 JAK3 10/4885NTRK1 4243/4885CDK2 52/4885

“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.