SCHEMBL1703558

SCHEMBL1703558

CCC(Cl)C(=O)Nc1ccsc1C(=O)Nc1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL1703806 0.87 L3MBTL1 (0.51) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL1703658 0.87 RAB9A (0.52) MAPTMEN1KMT2APKMPOLB
SCHEMBL1703499 0.86 PKM (0.52) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL1704322 0.82 MEN1 (0.63) MAPTMEN1KMT2APKMPOLB
SCHEMBL1704097 0.82 MEN1 (0.43) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL1704203 0.81 L3MBTL1 (0.46) MAPTKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL1703491 0.73 LMNA (0.49) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL1703648 0.73 RAB9A (0.56) MAPTMEN1KMT2APKMPOLB
SCHEMBL13262090 0.71 ALDH1A1 (0.53) MAPTMEN1KMT2APKMPOLB
SCHEMBL1704320 0.69 RAB9A (0.61) MAPTMEN1KMT2APKMPOLB

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
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 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 (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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB MAPT 4638/4885MEN1 1392/4885KMT2A 2910/4885

“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.