SCHEMBL24304520

SCHEMBL24304520

O=[N+]([O-])c1ccc(-c2cnn(CCO)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.52
PDK2 Q15119 10/20 0.42
TGFBR1 P36897 1/20 0.42
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
NTRK1 P04629 1/20 0.38
ALK Q9UM73 1/20 0.38
ALOX5AP P20292 1/20 0.37

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
SCHEMBL24304935 0.85 FEN1 (0.54) FEN1MAPTNTRK1ALK
SCHEMBL24304544 0.82 PKM (0.43) FEN1POLBMAPTALOX5AP
SCHEMBL2625723 0.81 CCNT1 (0.51) FEN1MAPTALKALOX5AP
SCHEMBL24304940 0.78 FEN1 (0.60) FEN1PDK2TGFBR1PDK1PDK3
SCHEMBL1703117 0.74 ALDH1A1 (0.55) POLBMAPT
SCHEMBL24157831 0.71 FEN1 (0.45) FEN1MAPTALK
SCHEMBL24304323 0.71 DYRK1A (0.47) NTRK1
SCHEMBL14809788 0.71 CYP19A1 (0.52) POLBMAPT
SCHEMBL9807395 0.71 ELANE (0.50) POLBMAPTATM
SCHEMBL18193018 0.71 ALDH1A1 (0.45) MAPTATMALK

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-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 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-20220119370-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 FEN1 4488/4885PDK2 1204/4885TGFBR1 2202/4885

“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.