SCHEMBL24304544

SCHEMBL24304544

O=[N+]([O-])c1ccc(-c2cnn(CCN3CCOCC3)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
CTSB P07858 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNJ1 P48048 1/20 0.42
MAPK1 P28482 1/20 0.41
ABL1 P00519 1/20 0.40
WDR5 P61964 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IKBKE Q14164 1/20 0.40

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
SCHEMBL24304520 0.82 FEN1 (0.52) MAPTPOLBALOX5APFEN1
SCHEMBL24304245 0.81 PIM1 (0.50) PIM1PIM3PIM2MAPK1ABL1
SCHEMBL24304935 0.79 FEN1 (0.54) MAPTMAPK1FEN1IKBKETBK1
SCHEMBL2625723 0.78 CCNT1 (0.51) MAPTALDH1A1LMNAKMT2AALOX5AP
SCHEMBL1284747 0.78 KMT2A (0.51) PKMMAPTPOLBCTSBALDH1A1
SCHEMBL24304937 0.76 NTRK1 (0.42) ABL1
SCHEMBL17476772 0.75 POLB (0.48) PKMMAPTPOLBPIM1PIM3
SCHEMBL31434894 0.73 SMN1; SMN2 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL16054500 0.73 IKBKE (0.46) MAPTPOLBPIM1PIM3PIM2
SCHEMBL15894947 0.72 ALDH1A1 (0.54) PKMMAPTPOLBALDH1A1LMNA

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 PKM 4418/4885MAPT 4454/4885POLB 1331/4885

“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.