SCHEMBL27180959

SCHEMBL27180959

COc1cc(Br)cc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
MMP12 P39900 1/20 0.39
SRC P12931 1/20 0.38
ABL1 P00519 1/20 0.37
RAD52 P43351 1/20 0.37
RIN1 Q13671 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CSNK2A2 P19784 1/20 0.37
RAB9A P51151 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK1A Q13627 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
BRD4 O60885 1/20 0.37
PDPK1 O15530 1/20 0.36
MAPT P10636 2/20 0.35
LCK P06239 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTK6 Q13882 1/20 0.34

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
SCHEMBL34474974 1.00 NQO2 (0.42) NQO2MMP12SRCABL1RAD52
SCHEMBL7345919 0.80 ACHE (0.42) MMP12SRCABL1RAD52RIN1
SCHEMBL31204498 0.77 CHEK1 (0.44) NQO2SRCKMT2ARAB9APDPK1
SCHEMBL23749628 0.76 CHEK1 (0.37) ABL1RIN1MEN1KMT2ACSNK2A2
SCHEMBL2418830 0.76 NQO2 (0.38) NQO2MMP12ABL1RIN1MEN1
SCHEMBL30140704 0.76 CHEK1 (0.37) ABL1RIN1MEN1KMT2ACSNK2A2
SCHEMBL31056362 0.76 NQO2 (0.38) NQO2MMP12ABL1RIN1MEN1
SCHEMBL18033648 0.73 CA12 (0.50) RAB9ABRD4QPCT
SCHEMBL29149388 0.73 MMP12 (0.47) MMP12MEN1KMT2ACSNK2A2RAB9A
Bromide SCHEMBL31066901 0.72 CA12 (0.49) RAB9ABRD4QPCT

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
EP-4262788-B1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 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-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R NQO2 1211/4885MMP12 4318/4885SRC 4415/4885

“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.