SCHEMBL1703546

SCHEMBL1703546

CCC(N)c1nc2ccsc2c(=O)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PIK3CD O00329 4/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4B Q07343 2/20 0.46
PDE7A Q13946 2/20 0.46
KIF11 P52732 4/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1703448 0.89 POLB (0.51) ALDH1A1SMN1; SMN2PIK3CDGAAPOLB
SCHEMBL1703433 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL1703459 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL1703701 0.86 GAA (0.44) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL1703341 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL1703684 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL1703695 0.85 PIK3CD (0.49) ALDH1A1SMN1; SMN2PIK3CDPOLBLMNA
SCHEMBL1755796 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL1703480 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2PIK3CDMEN1GAA
SCHEMBL28093438 0.81 PDE7A (0.56) ALDH1A1SMN1; SMN2PIK3CDMEN1RAB9A

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 ALDH1A1 1821/4885SMN1; SMN2 3934/4885PIK3CD 2/4885

“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.