SCHEMBL2736505

SCHEMBL2736505

CN(C)Cc1ccn(C)c(=S)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL218291 0.78 HTR2A (0.38) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL20621512 0.71 ALDH1A1 (0.56) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL2736507 0.69 KDM4E (0.42) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL1698715 0.68 GABRA1 (0.54) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL28124605 0.65 ALDH1A1 (0.48) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL9068633 0.63 ALDH1A1 (0.52) FYNHTR2AHTR2CHTR2BALDH1A1
SCHEMBL11408846 0.62 ALDH1A1 (0.56) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL8045011 0.62 ALDH1A1 (0.52) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL11266603 0.60 MAPT (0.43) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL17016684 0.60 ALDH1A1 (0.43) CHEK1AURKADAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CHEK1 2625/4885AURKA 1845/4885DAPK3 1803/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CHEK1 4408/4885AURKA 3855/4885DAPK3 2718/4885

“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.