SCHEMBL698225

SCHEMBL698225

O=C1CC[C@@H]2c3ccccc3CC[C@H]2N1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.64
PARP1 P09874 1/20 0.44
SIGMAR1 Q99720 3/20 0.39
IDO1 P14902 2/20 0.39
PDPK1 O15530 1/20 0.39
NPY5R Q15761 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7789498 1.00 SRD5A1 (0.64) SRD5A1PARP1SIGMAR1IDO1PDPK1
SCHEMBL698224 1.00 SRD5A1 (0.64) SRD5A1PARP1SIGMAR1IDO1PDPK1
SCHEMBL7797739 1.00 SRD5A1 (0.64) SRD5A1PARP1SIGMAR1IDO1PDPK1
SCHEMBL9964019 0.88 SRD5A1 (0.54) SRD5A1PARP1RAB9A
SCHEMBL1952744 0.88 SRD5A1 (0.54) SRD5A1PARP1RAB9A
SCHEMBL1952747 0.88 SRD5A1 (0.54) SRD5A1PARP1RAB9A
SCHEMBL1207971 0.88 SRD5A1 (0.54) SRD5A1PARP1RAB9A
SCHEMBL21357347 0.87 SRD5A1 (0.49) SRD5A1PARP1SIGMAR1IDO1PDPK1
SCHEMBL7797837 0.78 SRD5A1 (1.00) SRD5A1NPY5R
SCHEMBL7796251 0.78 SRD5A1 (0.70) SRD5A1

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-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 SRD5A1 2464/4885PARP1 1074/4885SIGMAR1 507/4885

“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.