SCHEMBL13740465

SCHEMBL13740465

Cc1cnc2[nH]c(=S)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM1 Q13255 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CCR1 P32246 1/20 0.32

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
SCHEMBL1001304 0.77 ALDH1A1 (0.56) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL12232628 0.77 PDE3B (0.54) ALDH1A1PDE3BPDE3A
SCHEMBL8781282 0.69 ALDH1A1 (0.51) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL11478869 0.68 ALDH1A1 (0.60) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL23706120 0.68 PSMB8 (0.46) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL30097028 0.68 PSMB8 (0.46) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8781343 0.68 PSMB8 (0.46) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL11335850 0.67 MAPT (0.48) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL777616 0.65 PSMB8 (0.50) PSMB8KDM4EALDH1A1GAACCR1
SCHEMBL18282199 0.64 PSMB8 (0.41) PSMB8KDM4EALDH1A1HPGDCYP3A4

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-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 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 (3 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 PSMB8 444/4885KDM4E 418/4885ALDH1A1 2879/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT PSMB8 1558/4885KDM4E 1905/4885ALDH1A1 1780/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 PSMB8 389/4885KDM4E 383/4885ALDH1A1 2375/4885

“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.