SCHEMBL3022265

SCHEMBL3022265

Cc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.68
JAK3 P52333 11/20 0.52
NTRK1 P04629 8/20 0.52
CDK2 P24941 3/20 0.52
MUSK O15146 1/20 0.52
LCK P06239 1/20 0.52
RET P07949 1/20 0.52
FGFR3 P22607 1/20 0.52
CCNE1 P24864 1/20 0.52
FLT3 P36888 1/20 0.52
PTK2B Q14289 1/20 0.52
JAK2 O60674 13/20 0.49
AURKB Q96GD4 2/20 0.45
STAT5B P51692 1/20 0.45

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
SCHEMBL3137082 0.89 KCNH2 (0.54) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3137061 0.89 KCNH2 (0.54) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3026832 0.89 KCNH2 (0.68) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3020033 0.88 JAK3 (0.57) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3026499 0.88 KCNH2 (0.74) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3026049 0.87 KCNH2 (0.66) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3124459 0.80 NTRK1 (0.51) KCNH2JAK3NTRK1RETFLT3
SCHEMBL3124443 0.80 NTRK1 (0.51) KCNH2JAK3NTRK1RETFLT3
SCHEMBL3139531 0.79 JAK3 (0.53) KCNH2JAK3NTRK1CDK2MUSK
SCHEMBL3133128 0.79 JAK3 (0.53) KCNH2JAK3NTRK1CDK2MUSK

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 KCNH2 2505/4885JAK3 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.