SCHEMBL23973305

SCHEMBL23973305

C=C(C)c1cccc(C2(c3nc4c(c(=O)[nH]3)CNCCC4)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
SPR P35270 3/20 0.33
HTR6 P50406 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HPGD P15428 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23973164 0.83 LMNA (0.41) MAPTTNKSTNKS2HPGDKDM4E
SCHEMBL23973163 0.83 HPGD (0.43) MAPTTNKSTNKS2HPGDKDM4E
SCHEMBL23973166 0.83 SPR (0.41) MAPTSPRTNKSTNKS2HPGD
SCHEMBL23973165 0.82 TNKS2 (0.44) MAPTTNKSTNKS2HPGDKDM4E
SCHEMBL23973345 0.82 TNKS (0.37) MAPTTNKSTNKS2HPGDKDM4E
SCHEMBL23972365 0.82 HPGD (0.38) MAPTTNKSTNKS2HPGDKDM4E
SCHEMBL23973158 0.80 WNT3A (0.41) HTR6TNKSTNKS2HPGDTP53
SCHEMBL23973264 0.80 SMN1; SMN2 (0.38) MAPTTNKSTNKS2HPGDKDM4E
SCHEMBL23973338 0.80 BTK (0.33) SPRHTR6TNKSTNKS2HPGD
SCHEMBL23973335 0.79 TNKS2 (0.38) MAPTHTR6TNKSTNKS2

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 MAPT 2065/4885SPR 840/4885HTR6 216/4885

“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.