SCHEMBL373786

SCHEMBL373786

CN1CC(Nc2nc(N3CCC(c4nc5cc(F)ccc5o4)CC3)nc3c2[S+]([O-])CC3)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MPO P05164 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ THRB P10828 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
SCHEMBL12921424 1.00 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MPOPTGDR2
SCHEMBL8053539 1.00 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MPOPTGDR2
SCHEMBL12921333 0.93 NPSR1 (0.33) MEN1KMT2ASMN1; SMN2THRB
SCHEMBL186973 0.90 USP2 (0.37) MEN1KMT2ASMN1; SMN2GAATHRB
SCHEMBL12921330 0.88 NPSR1 (0.33) THRB
SCHEMBL12209170 0.87 PTGDR2 (0.31) PTGDR2
SCHEMBL373980 0.87 PTGDR2 (0.31) PTGDR2
SCHEMBL373406 0.87 PAK4 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL8055667 0.87 PAK4 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL12921328 0.81 ACHE (0.35) —

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
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 — — EP 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

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 MEN1 2165/4885KMT2A 2536/4885SMN1; SMN2 338/4885

“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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