SCHEMBL8055667

SCHEMBL8055667

CN1C[C@@H](Nc2nc(N3CCC(c4nc5ccc(Cl)cc5o4)CC3)nc3c2[S+]([O-])CC3)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.33
▸ HRH4 Q9H3N8 8/20 0.33
▸ HTR3A P46098 4/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 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
SCHEMBL373406 1.00 PAK4 (0.33) PAK4HRH4HTR3AMEN1ALDH1A1
SCHEMBL12921330 0.92 NPSR1 (0.33) HTR3A
SCHEMBL186973 0.90 USP2 (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL12921333 0.88 NPSR1 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12921424 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL373786 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL8053539 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL186820 0.85 SRD5A1 (0.43) MEN1KMT2ATSHR
SCHEMBL12921484 0.84 TSHR (0.35) ALDH1A1TSHR
SCHEMBL9267543 0.82 IL1B (0.37) HRH4HTR3AKMT2ASMN1; SMN2TSHR

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 8 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-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 PAK4 1223/4885HRH4 13/4885HTR3A 3216/4885

“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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