SCHEMBL8054262

SCHEMBL8054262

CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4cccnc4)no3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 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
SCHEMBL12921313 0.92 TUBB4A (0.40) MAPK1GAAHTTEPHX2KCNH2
SCHEMBL187438 0.91 SMN1; SMN2 (0.44) KDM4ERAB9AL3MBTL1GAAHTT
SCHEMBL7712510 0.91 SMN1; SMN2 (0.44) KDM4ERAB9AL3MBTL1GAAHTT
Trifluoroacetic Acid SCHEMBL975654 0.86 SMN1; SMN2 (0.43) KDM4EGAAHTTEPHX2KCNH2
SCHEMBL8055223 0.84 PPARA (0.43) PPARAKDM4ERAB9AL3MBTL1GPR119
SCHEMBL10266952 0.83 CCR5 (0.32) GPR119EPHX2
SCHEMBL8060081 0.83 GPR119 (0.36) GPR119EPHX2KCNH2SCN9ACNR2
SCHEMBL8060121 0.82 PPARA (0.45) PPARAKDM4ERAB9AL3MBTL1GPR119
SCHEMBL373806 0.80 TP53 (0.32) KDM4ELMNASMN1; SMN2ALDH1A1TP53
SCHEMBL975655 0.80 SMN1; SMN2 (0.42) KDM4EGAAHTTEPHX2KCNH2

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 7 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
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP 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 PPARA 604/4885KDM4E 2377/4885RAB9A 3176/4885

“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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