SCHEMBL18337240

SCHEMBL18337240

CSc1nc2c(=O)n(C)c(C3CCOCC3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.45
PDE1B Q01064 5/20 0.37
TDP2 O95551 1/20 0.35
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
PDE1A P54750 4/20 0.32
PDE1C Q14123 4/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
GAA P10253 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
SCHEMBL18336987 0.93 AADAT (0.40) AADATPDE1BTDP2IKBKBCHUK
SCHEMBL18337030 0.91 AADAT (0.39) AADATIKBKBCHUKALDH1A1MAPT
SCHEMBL18335842 0.81 ALDH1A1 (0.35) AADATIKBKBCHUKALDH1A1NPC1
SCHEMBL18338042 0.79 AADAT (0.44) AADATIKBKBCHUKALDH1A1HPGD
SCHEMBL18337618 0.78 AADAT (0.44) AADATPDE1BTDP2PDE1APDE1C
SCHEMBL18337368 0.75 AADAT (0.47) AADATPDE1BIKBKBCHUKPDE1A
SCHEMBL18336197 0.75 AADAT (0.48) AADATPDE1BTDP2PDE1APDE1C
SCHEMBL18336195 0.75 AADAT (0.48) AADATPDE1BTDP2PDE1APDE1C
SCHEMBL18336724 0.74 AADAT (0.41) AADATIKBKBCHUK
SCHEMBL18335863 0.73 AADAT (0.40) AADATTDP2ADORA2AADORA2B

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 3986/4885PDE1B 2320/4885TDP2 4657/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885PDE1B 2713/4885TDP2 4647/4885

“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.