SCHEMBL6282946

SCHEMBL6282946

O=c1c2ccccc2[nH]c(=S)n1-c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
PDE7A Q13946 3/20 0.71
PDE7B Q9NP56 2/20 0.71
HTT P42858 1/20 0.62
PKM P14618 1/20 0.60
MAPK10 P53779 1/20 0.60
LOXL3 P58215 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
RXFP1 Q9HBX9 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
IMPDH2 P12268 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9955792 0.86 ALDH1A1 (0.73) ALDH1A1PDE7APDE7BHTTPKM
SCHEMBL31519931 0.86 GAA (0.59) ALDH1A1PDE7APDE7BHTTPKM
SCHEMBL6976082 0.86 GAA (0.59) ALDH1A1PDE7APDE7BHTTPKM
SCHEMBL30103233 0.84 PDE7A (1.00) ALDH1A1PDE7APDE7BHTTLOXL3
SCHEMBL844588 0.84 PDE7A (1.00) ALDH1A1PDE7APDE7BHTTLOXL3
SCHEMBL5425840 0.82 ALDH1A1 (0.59) ALDH1A1PDE7APDE7BHTTPKM
SCHEMBL14096394 0.75 PDE7A (0.77) ALDH1A1PDE7APDE7BHTTCA12
SCHEMBL18239987 0.75 PDE7A (0.77) ALDH1A1PDE7APDE7BHTTCA12
SCHEMBL6283505 0.75 PDE7A (0.77) ALDH1A1PDE7APDE7BHTTCA12
SCHEMBL31419817 0.75 PDE7A (0.77) ALDH1A1PDE7APDE7BHTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES LEVOLTA PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-6897213-B1 Heterocycles as cholecystokinin (CCK) ligands WARNER-LAMBERT COMPANY (US) 2005-05-24 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 (1 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-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES SYK, BTK, LCK ALDH1A1 4797/4885PDE7A 739/4885PDE7B 1319/4885

“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.