SCHEMBL8046538

SCHEMBL8046538

[O-][S+]1CCc2nc(N3CCn4c(Cc5ccc(Cl)c(Cl)c5)nnc4C3)nc(NC3CCOCC3)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CDK2 P24941 1/20 0.31
▸ DNMT3A Q9Y6K1 1/20 0.31
▸ GPR6 P46095 1/20 0.30
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 1/20 0.30

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
SCHEMBL15106979 0.94 EHMT2 (0.32) MAPK1EHMT2EHMT1
SCHEMBL12879597 0.83 MAPK1 (0.32) MAPK1CDK2
SCHEMBL12872258 0.82 SMN1; SMN2 (0.36) MAPK1CDK2DNMT3AGPR6EHMT2
SCHEMBL8058428 0.82 HTR6 (0.32) HTR6
SCHEMBL1202628 0.81 KDM4E (0.32) HTR6
SCHEMBL8062312 0.81 HTR6 (0.33) MAPK1HTR6
SCHEMBL15106978 0.80 MGAT2 (0.36) EHMT2EHMT1
SCHEMBL12879987 0.80 TACR3 (0.35) —
SCHEMBL8059113 0.80 TACR3 (0.35) —
SCHEMBL8057035 0.77 PDE4D (0.35) DNMT3AEHMT2EHMT1

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-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — US disclosed
US-8486948-B2 Piperazinodihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 — — US disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — US disclosed
WO-2009050236-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES 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 (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-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES DPYD, PRDX5, PRDX1 MAPK1 2458/4885HTR6 2064/4885CDK2 168/4885
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES PDE4A, PDE12, PDE4B MAPK1 2836/4885HTR6 1146/4885CDK2 1722/4885

“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.

Send feedback