SCHEMBL18337965

SCHEMBL18337965

CSc1nc2c(=O)n([C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.38
USP30 Q70CQ3 2/20 0.38
PIK3CA P42336 1/20 0.37
TNF P01375 2/20 0.37
LITAF Q99732 2/20 0.37
HDAC4 P56524 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
EGFR P00533 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33
STS P08842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18335888 1.00 AADAT (0.38) AADATUSP30PIK3CATNFLITAF
SCHEMBL18335868 1.00 AADAT (0.38) AADATUSP30PIK3CATNFLITAF
SCHEMBL18336100 0.84 AADAT (0.37) AADATUSP30PIK3CATNFLITAF
SCHEMBL18337890 0.84 AADAT (0.37) AADATUSP30PIK3CATNFLITAF
SCHEMBL18336239 0.83 AADAT (0.40) AADATGPR119KDM4EMAPTTHRB
SCHEMBL18335814 0.82 AADAT (0.43) AADATPIK3CAGPR119BACE1KDM4E
SCHEMBL18336449 0.80 AADAT (0.40) AADAT
SCHEMBL18337056 0.79 AADAT (0.49) AADAT
SCHEMBL18336883 0.75 AADAT (0.47) AADAT
SCHEMBL18336150 0.75 AADAT (0.45) AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS AADAT 3986/4885USP30 4198/4885PIK3CA 4530/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885USP30 4176/4885PIK3CA 4548/4885

“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.