SCHEMBL8052214

SCHEMBL8052214

CN(CC1(c2ccccc2)CCN(c2nc3c(c(Nc4cccc(F)c4)n2)[S+]([O-])CC3)CC1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ WHR1 P49842 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ EGFR P00533 2/20 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
SCHEMBL12210740 0.88 KDM4E (0.33) MAPTKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL15976730 0.84 KDM4E (0.37) MAPTKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL8040917 0.82 — —
SCHEMBL12209639 0.82 — —
SCHEMBL12921379 0.80 KDM4E (0.36) MAPTKMT2AMEN1L3MBTL1SLC6A2
SCHEMBL8040918 0.80 KDM4E (0.31) KDM4E
SCHEMBL12948457 0.80 TACR1 (0.36) MAPTKMT2AMEN1SLC6A4KDM4E
SCHEMBL8055898 0.79 SCN9A (0.41) SLC6A2SLC6A3SLC6A4KDM4EWHR1
SCHEMBL12921396 0.79 KDM4E (0.35) MAPTKMT2AMEN1L3MBTL1SLC6A2
SCHEMBL8055858 0.79 HTR2A (0.35) MAPTCYP1A2SLC6A2SLC6A3SLC6A4

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 MAPT 3547/4885KMT2A 2536/4885MEN1 2165/4885

“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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