SCHEMBL20565009

SCHEMBL20565009

O=[N+]([O-])/C=C/c1c(Br)cc(F)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.51
FBP1 P09467 9/20 0.43
RXRA P19793 1/20 0.43
HSP90AA1 P07900 2/20 0.42
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL20565011 1.00 VCP (0.51) VCPFBP1RXRAHSP90AA1MAPT
SCHEMBL3268207 0.75 PADI4 (0.42) MAPTNPSR1LMNAHTTALDH1A1
SCHEMBL21831542 0.75 RXRA (0.57) VCPFBP1RXRAHSP90AA1MAPT
SCHEMBL21831540 0.75 RXRA (0.57) VCPFBP1RXRAHSP90AA1MAPT
SCHEMBL21326149 0.74 VCP (0.53) VCPFBP1RXRAHSP90AA1
SCHEMBL29586598 0.74 VCP (0.53) VCPFBP1RXRAHSP90AA1
SCHEMBL20177741 0.72 VCP (0.53) VCPFBP1HSP90AA1MAPTHTT
SCHEMBL18428161 0.71 RXRA (0.60) VCPFBP1RXRAHSP90AA1MAPT
SCHEMBL18428162 0.71 RXRA (0.60) VCPFBP1RXRAHSP90AA1MAPT
SCHEMBL19995922 0.71 VCP (0.57) VCPFBP1HSP90AA1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 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 (2 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-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 VCP 4280/4885FBP1 530/4885RXRA 457/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 VCP 4280/4885FBP1 530/4885RXRA 457/4885

“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.