SCHEMBL18337709

SCHEMBL18337709

CSc1nc2c(=O)n(C3CCCC3)cnc2s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.44
GRM5 P41594 7/20 0.44
AADAT Q8N5Z0 1/20 0.44
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
CLK1 P49759 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35
CNOT7 Q9UIV1 1/20 0.35

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
SCHEMBL18337727 0.78 AADAT (0.42) GRM1GRM5AADATKDM4ENPC1
SCHEMBL18336339 0.76 GAA (0.42) GRM1AADATKDM4EALDH1A1RAB9A
SCHEMBL31424531 0.72 CLK1 (0.42) GRM1GRM5CLK1
SCHEMBL18336180 0.69 AADAT (0.38) GRM1AADATALDH1A1IKBKBCHUK
SCHEMBL18336449 0.66 AADAT (0.40) AADATIKBKBCHUK
SCHEMBL18337704 0.65 AADAT (0.46) AADATIKBKBCHUK
SCHEMBL18337368 0.65 AADAT (0.47) AADATALDH1A1HSD17B10IKBKBCHUK
SCHEMBL30399993 0.65 PDE4D (0.41) GRM1GRM5AADATKDM4ENPC1
SCHEMBL18337679 0.64 AADAT (0.38) GRM1AADATIKBKBCHUK
SCHEMBL18336710 0.64 IKBKB (0.41) GRM1AADATIKBKBCHUK

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 GRM1 713/4885GRM5 1228/4885AADAT 3986/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS GRM1 659/4885GRM5 1113/4885AADAT 4071/4885

“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.