SCHEMBL18336339

SCHEMBL18336339

CSc1nc2c(=O)n(C3CCCC3)c(C)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
AADAT Q8N5Z0 1/20 0.39
HCAR1 Q9BXC0 2/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ATM Q13315 1/20 0.37
GRM1 Q13255 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT3 P40763 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
SCHEMBL18336180 0.94 AADAT (0.38) GAAALOX15AADATHCAR1KMT2A
SCHEMBL18337368 0.88 AADAT (0.47) GAAALOX15AADATALDH1A1CYP1A2
SCHEMBL18337928 0.77 GAA (0.44) GAAALOX15AADATHCAR1KMT2A
SCHEMBL18336449 0.76 AADAT (0.40) AADATIKBKBCHUK
SCHEMBL18337709 0.76 GRM1 (0.44) AADATHCAR1GRM1ALDH1A1IKBKB
SCHEMBL18337704 0.75 AADAT (0.46) AADATIKBKBCHUK
SCHEMBL18337702 0.75 IKBKB (0.40) GAAAADATGRM1ALDH1A1IKBKB
SCHEMBL18337679 0.74 AADAT (0.38) AADATKMT2AMEN1GRM1IKBKB
SCHEMBL18336883 0.72 AADAT (0.47) AADATIKBKBCHUK
SCHEMBL18337056 0.72 AADAT (0.49) AADATIKBKBCHUKPOLB

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 GAA 4633/4885ALOX15 3669/4885AADAT 3986/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS GAA 4645/4885ALOX15 3699/4885AADAT 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.