SCHEMBL8060934

SCHEMBL8060934

Cc1noc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.38
▸ SCN9A Q15858 3/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ABL1 P00519 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
SCHEMBL12209258 0.90 SCN9A (0.46) KDM4EGPR119SCN9AEPHX2
SCHEMBL12921306 0.88 SCN9A (0.46) GPR119SCN9AMEN1KMT2A
SCHEMBL12921277 0.87 KDM4E (0.41) KDM4ESCN9ACTSLCTSBCTSS
SCHEMBL186976 0.87 CNR2 (0.42) KDM4EGPR119SCN9AEPHX2MEN1
SCHEMBL8053453 0.85 GPR119 (0.44) KDM4EGPR119SCN9AEPHX2MEN1
SCHEMBL10266575 0.84 KDM4E (0.37) KDM4ESCN9ACTSLCTSBCTSS
SCHEMBL12921272 0.84 NPC1 (0.42) KDM4ESCN9ACTSLCTSBCTSS
SCHEMBL8054191 0.84 SCN9A (0.31) KDM4EGPR119SCN9ACTSLCTSB
SCHEMBL12921305 0.83 MAPT (0.39) KDM4ECTSLCTSBCTSSCTSK
SCHEMBL12209600 0.83 ACHE (0.42) HTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
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-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 — — 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 KDM4E 2377/4885GPR119 1759/4885SCN9A 3425/4885

“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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