SCHEMBL15106979

SCHEMBL15106979

Cc1cc(Cc2nnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)[S+]([O-])CC4)C3)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 4/20 0.32
▸ EHMT1 Q9H9B1 3/20 0.32
▸ MAPK1 P28482 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
SCHEMBL8046538 0.94 MAPK1 (0.32) EHMT2EHMT1MAPK1
SCHEMBL12879597 0.89 MAPK1 (0.32) MAPK1
SCHEMBL12879590 0.82 LMNA (0.30) —
SCHEMBL15106978 0.81 MGAT2 (0.36) EHMT2EHMT1
SCHEMBL12879610 0.81 KDM4E (0.33) —
SCHEMBL12879987 0.79 TACR3 (0.35) —
SCHEMBL8059113 0.79 TACR3 (0.35) —
SCHEMBL12879611 0.78 LMNA (0.32) —
SCHEMBL8062312 0.77 HTR6 (0.33) MAPK1
SCHEMBL8038226 0.77 AKR1C3 (0.42) EHMT2EHMT1

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 3 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-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

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-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES PDE4A, PDE12, PDE4B EHMT2 2556/4885EHMT1 2739/4885MAPK1 2836/4885

“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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