SCHEMBL23972782

SCHEMBL23972782

O=c1[nH]c(C2(c3cccc4ccccc34)CC2)nc2c1CNCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
TNKS O95271 7/20 0.40
TNKS2 Q9H2K2 7/20 0.40
HTR2C P28335 2/20 0.38
PSMD14 O00487 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
PNMT P11086 2/20 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
SCHEMBL30604361 1.00 PARP1 (0.40) PARP1TNKSTNKS2HTR2CPSMD14
SCHEMBL23973239 0.85 TNKS (0.41) PARP1TNKSTNKS2HTR2CTAAR1
SCHEMBL23972481 0.82 HTR2C (0.44) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL23973229 0.80 TNKS (0.40) PARP1TNKSTNKS2HTR2CCYP1A2
SCHEMBL34464429 0.79 TNKS (0.40) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL23972239 0.79 TNKS (0.41) PARP1TNKSTNKS2HTR2CTAAR1
SCHEMBL23973342 0.78 HTR2C (0.42) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL23973332 0.78 MAPT (0.41) PARP1TNKSTNKS2HTR2CCYP1A2
SCHEMBL23973129 0.78 HTR2C (0.43) PARP1TNKSTNKS2HTR2CMAPT
SCHEMBL34464153 0.78 HTR2C (0.37) PARP1TNKSTNKS2HTR2CMAPT

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 PARP1 2542/4885TNKS 1079/4885TNKS2 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.