SCHEMBL8053453

SCHEMBL8053453

[O-][S+]1CCc2nc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.44
▸ PPARA Q07869 2/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL186976 0.92 CNR2 (0.42) GPR119LMNATSHRSCN9AHTT
SCHEMBL12921306 0.92 SCN9A (0.46) GPR119ABCG2LMNATSHRSCN9A
Trifluoroacetic Acid SCHEMBL974255 0.86 SCN9A (0.42) GPR119LMNATSHRSCN9AHTT
SCHEMBL8060934 0.85 KDM4E (0.39) GPR119SCN9AEPHX2KDM4EMEN1
SCHEMBL12210070 0.84 GPR119 (0.45) GPR119PPARAABCG2LMNATSHR
SCHEMBL12209258 0.83 SCN9A (0.46) GPR119SCN9AEPHX2KCNH2KDM4E
SCHEMBL8060121 0.82 PPARA (0.45) GPR119PPARALMNATSHRHTT
SCHEMBL187911 0.81 LMNA (0.37) LMNASCN9AKDM4EALDH1A1
SCHEMBL8055223 0.81 PPARA (0.43) GPR119PPARALMNATSHRSCN9A
SCHEMBL8054262 0.79 PPARA (0.42) GPR119PPARALMNATSHRSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 GPR119 1759/4885PPARA 604/4885ABCG2 624/4885

“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.

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