SCHEMBL1994950

SCHEMBL1994950

Cc1csc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCCC(C(F)(F)F)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35

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
SCHEMBL3175372 0.78 POLB (0.39) KMT2APOLBSMN1; SMN2PDE4BPDE7A
SCHEMBL3175361 0.78 POLB (0.39) KMT2APOLBSMN1; SMN2PDE4BPDE7A
SCHEMBL1991235 0.77 ALDH1A1 (0.39) DPP4KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5261777 0.76 ALDH1A1 (0.49) DPP4KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1991529 0.76 KDM4E (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4083046 0.74 POLB (0.46) MEN1ALDH1A1GAAKMT2ANPSR1
SCHEMBL1996771 0.72 TRPV4 (0.36) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1992040 0.72 POLB (0.51) MEN1ALDH1A1GAAHPGDMAPK1
SCHEMBL3191018 0.70 POLB (0.49) MEN1ALDH1A1GAAHPGDMAPK1
SCHEMBL1998159 0.70 CNR2 (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP3A4

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 DPP4 4315/4885KDM4E 4398/4885MEN1 3443/4885

“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.