SCHEMBL3023274

SCHEMBL3023274

C[C@H](Nc1nc(N)c(F)c(-c2cc(C3CC3)[nH]n2)c1[N+](=O)[O-])c1ncc(F)cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
NTRK1 P04629 14/20 0.43
JAK3 P52333 6/20 0.36
CDK2 P24941 2/20 0.35
STAT5B P51692 2/20 0.35
AURKB Q96GD4 2/20 0.35

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
SCHEMBL3015513 0.89 NTRK1 (0.49) JAK2NTRK1JAK3CDK2STAT5B
SCHEMBL3775597 0.82 JAK2 (0.48) JAK2NTRK1JAK3CDK2STAT5B
SCHEMBL3781156 0.82 JAK2 (0.50) JAK2NTRK1JAK3AURKB
SCHEMBL3137650 0.78 HTT (0.48) NTRK1
SCHEMBL217487 0.77 JAK2 (0.55) JAK2NTRK1JAK3AURKB
SCHEMBL3012762 0.75 NTRK1 (0.50) JAK2NTRK1JAK3CDK2STAT5B
SCHEMBL220866 0.74 JAK2 (0.61) JAK2NTRK1JAK3AURKB
SCHEMBL3013784 0.73 NTRK1 (0.39) JAK2NTRK1JAK3CDK2STAT5B
SCHEMBL3257549 0.72 NTRK1 (0.56) JAK2NTRK1JAK3
SCHEMBL3771623 0.72 NTRK1 (0.50) JAK2NTRK1JAK3

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 4/4885NTRK1 4243/4885JAK3 10/4885

“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.