SCHEMBL4977951

SCHEMBL4977951

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 2/20 0.36
GAA P10253 3/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4980053 0.87 KMT2A (0.40) L3MBTL1KMT2AALDH1A1MAPTMEN1
SCHEMBL3588741 0.84 PPARG (0.41) KMT2AALDH1A1MEN1MAPK1PPARG
Hydrochloric Acid SCHEMBL16052974 0.82 PPARG (0.40) KMT2AALDH1A1MEN1MAPK1PPARG
SCHEMBL4731578 0.77 TSHR (0.43) L3MBTL1KMT2AALDH1A1MAPTMEN1
SCHEMBL30953868 0.77 PPARG (0.42) L3MBTL1KMT2AALDH1A1MAPTMEN1
SCHEMBL4977217 0.72 PPARG (0.49) L3MBTL1KMT2AALDH1A1MAPTMEN1
SCHEMBL282501 0.72 SMN1; SMN2 (0.47) L3MBTL1KMT2AALDH1A1MEN1MAPK1
SCHEMBL20067834 0.72 PPARG (0.41) L3MBTL1KMT2AALDH1A1MAPTMEN1
SCHEMBL14389607 0.72 L3MBTL1 (0.39) L3MBTL1KMT2AALDH1A1MAPTMEN1
SCHEMBL23884259 0.72 L3MBTL1 (0.43) L3MBTL1KMT2AALDH1A1MAPTMEN1

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 L3MBTL1 4708/4885KMT2A 2628/4885ALDH1A1 1341/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A L3MBTL1 4703/4885KMT2A 2430/4885ALDH1A1 1392/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B L3MBTL1 4542/4885KMT2A 2593/4885ALDH1A1 1483/4885

“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.