SCHEMBL1993850

SCHEMBL1993850

Cn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(Br)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PIK3CA P42336 2/20 0.36
USP2 O75604 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MALT1 Q9UDY8 1/20 0.34
CYP11B2 P19099 1/20 0.34
TRPA1 O75762 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
KAT2B Q92831 1/20 0.33
MAPK14 Q16539 4/20 0.33
PTGS2 P35354 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32

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
SCHEMBL4521219 0.78 MALT1 (0.35) POLBPIK3CAUSP2CYP1A2CYP3A4
SCHEMBL4520024 0.78 MAPK14 (0.35) ALDH1A1MALT1TSHRMAPK14
SCHEMBL4522019 0.78 MAPK14 (0.36) MALT1CYP11B2MAPK14
SCHEMBL1997999 0.78 TRPV1 (0.37) CYP11B2TRPA1PDE4BPDE4DPDE4A
SCHEMBL4520401 0.77 BRD9 (0.35) POLBUSP2CYP1A2CYP3A4ALDH1A1
SCHEMBL4520689 0.77 MAOB (0.37) POLBCYP1A2ALDH1A1MALT1TRPA1
SCHEMBL4514944 0.77 DRD1 (0.35) PIK3CAUSP2CYP1A2CYP3A4ALDH1A1
SCHEMBL5432024 0.76 ALDH1A2 (0.34) POLBALDH1A1MALT1TRPA1MEN1
SCHEMBL4772515 0.76 KMT2A (0.38) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5431861 0.75 ALDH1A2 (0.33) POLBALDH1A1MALT1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866310-B1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2012-07-11 EP disclosed
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 US disclosed
EP-1866310-A1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
WO-2006100520-A1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 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-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 POLB 3292/4885PIK3CA 3455/4885USP2 3084/4885

“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.