SCHEMBL30469331

SCHEMBL30469331

O=C(NCC(F)(F)F)c1ccnc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
PREP P48147 1/20 0.47
ULK1 O75385 5/20 0.47
GABRA5 P31644 1/20 0.45
KDM1A O60341 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAPK14 Q16539 1/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL25307043 0.87 PREP (0.45) LOXL2PREPULK1GABRA5KDM1A
SCHEMBL31055431 0.86 ADORA2A (0.50) PREPKDM1AHDAC1HDAC6LMNA
SCHEMBL18030366 0.82 LOXL2 (0.51) LOXL2ULK1GABRA5MAPK14EPHX2
SCHEMBL31055454 0.79 PREP (0.45) PREPKDM1AHDAC1HDAC6EPHX2
SCHEMBL3299192 0.78 HPGD (0.51) PREPKDM1AHDAC1HDAC6HTT
SCHEMBL2998198 0.77 KDM4E (0.55) PREPKDM1AHDAC1HDAC6LMNA
SCHEMBL30315883 0.77 KDM4E (0.55) PREPKDM1AHDAC1HDAC6LMNA
SCHEMBL31055445 0.76 GAA (0.59) PREPKDM1AHDAC1HDAC6LMNA
SCHEMBL30469344 0.76 LOXL2 (0.66) LOXL2ULK1GABRA5SMN1; SMN2KDM4E
SCHEMBL24358061 0.75 LOXL2 (0.45) LOXL2ULK1GABRA5MAPK14EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042895-A1 INHIBITORS OF ULK1 AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2025-02-06 US disclosed
WO-2023059786-A1 INHIBITORS OF ULK1 AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-04-13 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-20250042895-A1 INHIBITORS OF ULK1 AND METHODS OF USE ULK1, ULK2, ULK3 LOXL2 2625/4885PREP 3726/4885ULK1 1/4885

“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.