SCHEMBL4977217

SCHEMBL4977217

COc1nc(SC)nc(Cl)c1C(=O)NCc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
PDE5A O76074 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.37
CHRM4 P08173 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 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
SCHEMBL4975923 0.78 PDE5A (0.56) PPARGPDE5A
SCHEMBL4977951 0.72 L3MBTL1 (0.40) PPARGL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4980053 0.72 KMT2A (0.40) PPARGL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3599075 0.71 PPARG (0.81) PPARGL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL16816453 0.70 PDE5A (0.68) PDE5A
SCHEMBL29972568 0.69 HPGDS (0.45) L3MBTL1MEN1KMT2AMAPTPOLB
SCHEMBL14653156 0.69 PDE5A (0.69) PDE5A
SCHEMBL17038772 0.67 TSHR (0.43) ADORA2AMEN1KMT2AALDH1A1CHRM4
SCHEMBL4731578 0.67 TSHR (0.43) PPARGL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL14653360 0.67 PDE5A (0.51) PDE5AMEN1KMT2AMAPTPOLB

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
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A PPARG 1684/4885ADORA2A 997/4885ADORA2B 749/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A PPARG 1372/4885ADORA2A 1114/4885ADORA2B 915/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B PPARG 1025/4885ADORA2A 448/4885ADORA2B 488/4885

“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.