SCHEMBL1703451

SCHEMBL1703451

O=C(O)Nc1ccsc1C(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
PKM P14618 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 2/20 0.44
F10 P00742 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
ABCB1 P08183 2/20 0.42
FLT1 P17948 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1704235 0.81 LMNA (0.54) MEN1KMT2APKMKDM4ENPSR1
SCHEMBL1703690 0.80 PKM (0.45) MEN1KMT2APKMKDM4ERXFP1
SCHEMBL7533361 0.79 ACLY (0.48) MEN1KMT2AKDM4ENPSR1RXFP1
SCHEMBL1703430 0.79 RXFP1 (0.44) MEN1KMT2APKMKDM4ENPSR1
SCHEMBL1704103 0.79 RAB9A (0.60) MEN1KMT2APKMKDM4ENPSR1
SCHEMBL1704097 0.79 MEN1 (0.43) MEN1KMT2APKMKDM4ENPSR1
SCHEMBL1704322 0.77 MEN1 (0.63) MEN1KMT2APKMNPSR1RXFP1
SCHEMBL5804557 0.75 KIT (0.57) MEN1KMT2APKMKDM4ELMNA
SCHEMBL7531850 0.75 ACLY (0.46) MEN1KMT2AKDM4ENPSR1LMNA
SCHEMBL1704320 0.74 RAB9A (0.61) MEN1KMT2APKMRXFP1SMN1; SMN2

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 MEN1 1392/4885KMT2A 2910/4885PKM 3015/4885

“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.