SCHEMBL3828091

SCHEMBL3828091

CSc1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.60
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CBFB Q13951 1/20 0.45
TXN P10599 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP11B2 P19099 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
SCHEMBL14502998 0.87 OPRL1 (0.56) OPRL1HPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19884927 0.87 OPRL1 (0.56) OPRL1HPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17073311 0.86 HPGD (0.57) OPRL1HPGDALDH1A1SMN1; SMN2TXN
SCHEMBL20821456 0.81 HSD17B10 (0.45) OPRL1HPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL22380005 0.81 HSD17B10 (0.45) OPRL1HPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11821902 0.78 HRH4 (0.57) OPRL1HPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7517182 0.78 HPGD (0.66) OPRL1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL20683082 0.78 HPGD (0.65) OPRL1HPGDALDH1A1SMN1; SMN2CBFB
SCHEMBL19558136 0.78 SMN1; SMN2 (0.51) OPRL1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL2356903 0.77 PRKAG1 (0.48) OPRL1HPGDALDH1A1SMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US 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 (2 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-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 OPRL1 2583/4885HPGD 693/4885ALDH1A1 84/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 OPRL1 1858/4885HPGD 469/4885ALDH1A1 242/4885

“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.