SCHEMBL4892136

SCHEMBL4892136

O=c1ncc(Br)cn1CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ADORA2B P29275 1/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 2/20 0.33
FPR2 P25090 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CDK9 P50750 1/20 0.31
RECQL P46063 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
SCHEMBL25419023 0.81 HSD17B10 (0.36) LMNAADORA2BALDH1A1TSHRHSD17B10
SCHEMBL11164505 0.81 MAPT (0.35) ADORA2BCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11169207 0.78 HSD17B10 (0.32) HSD17B10CDK9
SCHEMBL11160179 0.78 LMNA (0.35) LMNAADORA2BALDH1A1HSD17B10CCNE1
SCHEMBL2116411 0.77 HSD17B10 (0.34) LMNAALDH1A1TSHRHSD17B10
SCHEMBL11160938 0.76 CSNK2A2 (0.42) LMNAADORA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL11167293 0.74 CYP3A4 (0.38) ADORA2BALDH1A1HSD17B10PDE4APDE4B
SCHEMBL11161973 0.71
SCHEMBL11170092 0.71 CHRM1 (0.37)
SCHEMBL30454803 0.71 GRIN2B (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4395406-A 5-Halopyrimid-2-ones NYEGAARD & CO. A/S (NO) 1983-07-26 US claimed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 WO disclosed
US-4395406-A 5-Halopyrimid-2-ones NYEGAARD & CO. A/S (NO) 1983-07-26 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET LMNA 2411/4885ADORA2B 2529/4885CSNK2A2 2770/4885

“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.