SCHEMBL3019638

SCHEMBL3019638

O=[N+]([O-])c1cc(F)c(F)nc1NCc1ncc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.38
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 1/20 0.32
HTT P42858 1/20 0.32
ALDH3A1 P30838 1/20 0.32
LMNA P02545 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL3126537 0.78 HTT (0.50) PRKCQATMTDP1L3MBTL1ALDH1A1
SCHEMBL15120574 0.70 EGFR (0.53) PRKCQL3MBTL1POLBMAPTEGFR
SCHEMBL3024002 0.70 JAK2 (0.39) ALDH1A1HTT
SCHEMBL3666467 0.70 JAK2 (0.39) ALDH1A1HTT
SCHEMBL3670923 0.68 NTRK1 (0.36) PRKCQATMTDP1L3MBTL1ALDH1A1
SCHEMBL3008853 0.68 NTRK1 (0.36) PRKCQATMTDP1L3MBTL1ALDH1A1
SCHEMBL3671586 0.68 JAK3 (0.42) PRKCQ
SCHEMBL3009495 0.68 JAK3 (0.42) PRKCQ
SCHEMBL2568578 0.66 TDP1 (0.50) ATMTDP1L3MBTL1ALDH1A1POLB
SCHEMBL30731666 0.66 TDP1 (0.50) ATMTDP1L3MBTL1ALDH1A1POLB

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 3 patents. 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
EP-2155742-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO [4,5-B]PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008129255-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-30 WO 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 PRKCQ 783/4885ATM 729/4885TDP1 2467/4885

“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.