SCHEMBL8054865

SCHEMBL8054865

[O-][S+]1CCc2nc(N3CCC(c4nnc(-c5ccccc5)o4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ CCR4 P51679 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DNMT3A Q9Y6K1 3/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ EHMT1 Q9H9B1 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL8052339 0.92 TNKS (0.39) TNKSTNKS2LMNAHTTEHMT1
SCHEMBL12921298 0.92 MAPT (0.39) TNKSTNKS2EHMT1PIK3CAMAPT
SCHEMBL12209875 0.86 KDM4E (0.35) CCR4EGLN1KDM4EALDH1A1LMNA
SCHEMBL12209202 0.85 KDM4E (0.34) CCR4EGLN1KDM4EALDH1A1LMNA
SCHEMBL12209887 0.85 KDM4E (0.34) CCR4EGLN1KDM4EALDH1A1LMNA
SCHEMBL8054862 0.85 LMNA (0.39) CCR4EGLN1KDM4EALDH1A1LMNA
SCHEMBL12921249 0.85 PDE4D (0.41) CCR4EGLN1KDM4EALDH1A1LMNA
SCHEMBL974316 0.83 LMNA (0.38) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL8054876 0.82 TNKS (0.36) TNKSTNKS2KDM4EALDH1A1GAA
SCHEMBL10266310 0.81 HTR2A (0.37) CCR4EGLN1KDM4EALDH1A1LMNA

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
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-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — 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 TNKS 1654/4885TNKS2 2514/4885CCR4 466/4885

“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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