SCHEMBL1997999

SCHEMBL1997999

Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(Br)nc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
TDP2 O95551 3/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CYP11B2 P19099 4/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CTSS P25774 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
USP14 P54578 4/20 0.34
TRPA1 O75762 1/20 0.34
PDE10A Q9Y233 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL4098331 0.82 TRPV1 (0.35) TRPV1TDP2ALDH1A2ALDH1A3CYP11B2
SCHEMBL1993850 0.78 POLB (0.36) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL4093348 0.76 CTSS (0.39) CTSS
SCHEMBL4430107 0.76 CTSS (0.37) TRPV1TDP2ALDH1A2ALDH1A3CYP11B2
SCHEMBL5438324 0.75 ALDH1A2 (0.38) ALDH1A2ALDH1A3CTSS
SCHEMBL2235680 0.75 CTSS (0.36) TRPV1TDP2ALDH1A2ALDH1A3CTSS
SCHEMBL4520031 0.75 JAK2 (0.36) TRPV1TDP2ALDH1A2ALDH1A3CTSS
SCHEMBL3169031 0.74 CTSS (0.36) CYP11B2CTSSUSP14
SCHEMBL4426575 0.74 CTSS (0.36) TRPV1TDP2ALDH1A2ALDH1A3CTSS
SCHEMBL4516517 0.74 JAK2 (0.37) ALDH1A2ALDH1A3CTSSUSP14PDE10A

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 TRPV1 784/4885TDP2 4432/4885ALDH1A2 1685/4885

“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.