SCHEMBL1704550

SCHEMBL1704550

Cc1nc2sccc2c(=O)n1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 7/20 0.56
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
GRM1 Q13255 1/20 0.47

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
SCHEMBL9734325 0.80 ALDH1A1 (1.00) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL30122631 0.79 MAPK1 (0.75) ALDH1A1POLBKDM4EHSD17B10MAPK1
SCHEMBL1682746 0.79 MAPK1 (0.75) ALDH1A1POLBKDM4EHSD17B10MAPK1
SCHEMBL1703867 0.76 POLB (0.74) ALDH1A1MEN1KMT2APOLBHSD17B10
SCHEMBL1703812 0.75 SMN1; SMN2 (0.49) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL3759451 0.74 LMNA (0.65) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL4061235 0.72 MEN1 (0.56) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL2631381 0.72 MAPK1 (0.74) ALDH1A1POLBHSD17B10MAPK1ALOX12
SCHEMBL9734089 0.72 GRM5 (0.50) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL2118476 0.71 MAPK1 (0.76) ALDH1A1MEN1KMT2APOLBHSD17B10

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 8 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
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
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US 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
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 CYP2D6 1315/4885CYP2C19 506/4885CYP1A2 609/4885

“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.