SCHEMBL31748582

SCHEMBL31748582

NC(=O)c1nc2c(F)c(Br)c(F)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 3/20 0.38
▸ PARP1 P09874 9/20 0.38
▸ PARP2 Q9UGN5 5/20 0.38
▸ HRH4 Q9H3N8 3/20 0.36
▸ PKN1 Q16512 1/20 0.34
▸ PKN2 Q16513 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ CBFB Q13951 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
SCHEMBL31748504 0.86 EGLN1 (0.44) EGLN1HRH4DHODH
SCHEMBL31748505 0.69 CBFB (0.33) EGLN1CBFB
SCHEMBL31748611 0.69 PSMB8 (0.41) EGLN1DHODHCBFB
SCHEMBL20479886 0.67 PARP1 (0.46) PARP1PARP2PKN1PKN2DHODH
SCHEMBL30310686 0.67 HRH4 (0.57) EGLN1PARP1PARP2HRH4DHODH
Carbamic Acid SCHEMBL7997388 0.67 EGLN1 (0.49) EGLN1PARP1HRH4DHODHCBFB
SCHEMBL15939130 0.67 HRH4 (0.57) EGLN1PARP1PARP2HRH4DHODH
SCHEMBL25679030 0.64 DGAT1 (0.50) PARP1DGAT1
SCHEMBL30707784 0.64 HRH4 (0.44) HRH4
SCHEMBL9107283 0.64 HRH4 (0.44) HRH4

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-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 — — 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-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B EGLN1 3554/4885PARP1 902/4885PARP2 684/4885

“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.

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