SCHEMBL23972608

SCHEMBL23972608

C=C(C)c1csc(C2(c3nc4c(c(=O)[nH]3)CN(C(=O)OC(C)(C)C)CCC4)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 6/20 0.38
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
AVPR1A P37288 1/20 0.34
EHMT2 Q96KQ7 2/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
F12 P00748 2/20 0.33
PDE10A Q9Y233 1/20 0.33
ESR2 Q92731 1/20 0.32
MTHFD2 P13995 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPT P10636 1/20 0.31
ACACB O00763 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
SCHEMBL23973284 0.95 F12 (0.36) SPRPARP1TNKS2PARP2FABP4
SCHEMBL23973214 0.89 SPR (0.40) SPRPARP1TNKS2PARP2AVPR1A
SCHEMBL23973122 0.87 SPR (0.39) SPRPARP1TNKS2PARP2AVPR1A
SCHEMBL23972343 0.86 SPR (0.40) SPRPARP1TNKS2PARP2AVPR1A
SCHEMBL26602845 0.85 SPR (0.37) SPRAVPR1AEHMT2DDB1CRBN
SCHEMBL23972385 0.85 MTHFD2 (0.40) SPRAVPR1APDE10AMTHFD2
SCHEMBL23973324 0.84 SPR (0.37) SPREHMT2FABP4FABP5DDB1
SCHEMBL23973273 0.84 PARP1 (0.39) SPRPARP1TNKS2PARP2AVPR1A
SCHEMBL23972350 0.84 SPR (0.37) SPRPARP1TNKS2PARP2AVPR1A
SCHEMBL23973297 0.83 SPR (0.39) SPRPARP1TNKS2PARP2FABP4

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
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 SPR 840/4885PARP1 2542/4885TNKS2 1601/4885

“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.