SCHEMBL8054876

SCHEMBL8054876

[O-][S+]1CCc2nc(N3CCC(c4nnc(-c5ccccc5)o4)CC3)nc(NC3(CO)CC3)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 14/20 0.36
▸ TNKS2 Q9H2K2 3/20 0.36
▸ PARP2 Q9UGN5 8/20 0.35
▸ PARP1 P09874 7/20 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
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL8045024 0.92 TNKS (0.38) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL12921291 0.92 MAPT (0.39) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL12209204 0.87 KDM4E (0.32) KDM4EGAAGLAALDH1A1KMT2A
SCHEMBL8061267 0.87 KDM4E (0.32) KDM4EGAAGLAALDH1A1KMT2A
SCHEMBL187000 0.86 KDM4E (0.32) KDM4EGAAGLAALDH1A1KMT2A
SCHEMBL12209687 0.86 TUBB4A (0.41) KCNH2ALDH1A1
SCHEMBL12921226 0.85 PDE4D (0.34) KDM4EGAAGLAALDH1A1KMT2A
SCHEMBL973010 0.84 ALDH1A1 (0.41) KCNH2MAPTPOLBALDH1A1KMT2A
SCHEMBL15088430 0.83 TNKS (0.42) TNKSTNKS2PARP2PARP1HDAC3
SCHEMBL12209671 0.83 TNKS (0.36) TNKSTNKS2PARP2PARP1MAPT

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
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
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 2514/4885PARP2 1311/4885

“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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