SCHEMBL1996771

SCHEMBL1996771

Cc1csc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCc4ncc(C(F)(F)F)cc4C3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
KDR P35968 4/20 0.34
PDGFRB P09619 2/20 0.34
GRM1 Q13255 2/20 0.33
JAK2 O60674 1/20 0.33
SRC P12931 1/20 0.33
GAA P10253 2/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
EIF4EBP1 Q13541 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 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
SCHEMBL1989787 0.80 KCNH2 (0.38) TRPV4MEN1KMT2AHTTKDR
SCHEMBL2000199 0.79 KCNH2 (0.35) TRPV4MEN1KMT2AHTTGAA
SCHEMBL1990712 0.77 TRPV4 (0.36) TRPV4KDRPDGFRBKCNH2
SCHEMBL30408749 0.73 NPC1 (0.51) KDRPOLBKDM4EALDH1A1MAPK1
SCHEMBL25156790 0.73 NPC1 (0.51) KDRPOLBKDM4EALDH1A1MAPK1
SCHEMBL1994950 0.72 DPP4 (0.42) TRPV4MEN1KMT2AGRM1GAA
SCHEMBL4083046 0.71 POLB (0.46) MEN1KMT2AGRM1GAAPOLB
SCHEMBL1992040 0.68 POLB (0.51) MEN1KMT2AHTTGRM1GAA
SCHEMBL31184287 0.67 POLB (0.38) MEN1KMT2AHTTKDRPDGFRB
SCHEMBL3191018 0.66 POLB (0.49) MEN1KMT2AHTTGRM1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV4 1580/4885MEN1 3443/4885KMT2A 3098/4885

“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.