SCHEMBL12921372

SCHEMBL12921372

Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)[S+]([O-])CC5)CC3)nc2C)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 6/20 0.31
▸ EHMT1 Q9H9B1 4/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PDE4D Q08499 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL8055869 0.94 FAAH (0.32) EHMT2EHMT1PIK3CAPDE4D
SCHEMBL12921298 0.87 MAPT (0.39) EHMT2EHMT1PIK3CAPDE4D
SCHEMBL10283434 0.86 PDE4D (0.35) EHMT2EHMT1PDE4D
SCHEMBL12209875 0.85 KDM4E (0.35) PIK3CAPDE4D
SCHEMBL10265576 0.83 EML4 (0.36) EHMT2EHMT1PDE4DALOX5EPHX2
SCHEMBL12209887 0.82 KDM4E (0.34) EHMT2EHMT1PIK3CA
SCHEMBL12209202 0.82 KDM4E (0.34) EHMT2EHMT1PIK3CA
SCHEMBL12921371 0.82 — —
SCHEMBL12921259 0.81 EHMT2 (0.34) EHMT2EHMT1PDE4D
SCHEMBL974316 0.80 LMNA (0.38) PIK3CAEPHX2

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 2 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 EHMT2 3902/4885EHMT1 3376/4885PIK3CA 471/4885

“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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