SCHEMBL1703695

SCHEMBL1703695

CCC(N)c1nc2ccsc2c(=O)n1-c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
PDE7A Q13946 4/20 0.46
PDE4B Q07343 3/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KIF11 P52732 5/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
PDE7B Q9NP56 1/20 0.40

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
SCHEMBL1703426 0.86 PIK3CD (0.47) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL1703546 0.85 ALDH1A1 (0.57) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL1703448 0.81 POLB (0.51) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL754924 0.80 PIK3CD (0.60) PIK3CDPDE7AALDH1A1LMNAL3MBTL1
SCHEMBL16583419 0.80 PIK3CD (0.60) PIK3CDPDE7AALDH1A1LMNAL3MBTL1
SCHEMBL1703433 0.80 ALDH1A1 (0.44) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL6222959 0.79 ALDH1A1 (0.63) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL7509337 0.78 PIK3CD (0.44) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL1703684 0.77 ALDH1A1 (0.43) PIK3CDPDE7APDE4BALDH1A1SMN1; SMN2
SCHEMBL16583546 0.76 PIK3CD (0.50) PIK3CD

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 PIK3CD 2/4885PDE7A 2724/4885PDE4B 1368/4885

“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.