SCHEMBL974316

SCHEMBL974316

[O-][S+]1CCc2nc(N3CCC(c4nc5ccccc5o4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ DNMT3A Q9Y6K1 1/20 0.35

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
SCHEMBL516035 0.88 ALDH1A1 (0.40) LMNAALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL12921299 0.85 ACHE (0.38) ALDH1A1KMT2AKDM4EGAAPIK3CA
SCHEMBL186973 0.85 USP2 (0.37) LMNAALDH1A1KMT2AGAAMEN1
SCHEMBL12921249 0.85 PDE4D (0.41) LMNAALDH1A1KMT2AKDM4EGAA
SCHEMBL12209875 0.84 KDM4E (0.35) LMNAALDH1A1KMT2AKDM4EGAA
SCHEMBL12209887 0.84 KDM4E (0.34) LMNAALDH1A1KMT2AKDM4EGAA
SCHEMBL12209202 0.84 KDM4E (0.34) LMNAALDH1A1KMT2AKDM4EGAA
SCHEMBL8054865 0.83 TNKS (0.37) LMNAALDH1A1KMT2AKDM4EGAA
SCHEMBL10266310 0.82 HTR2A (0.37) LMNAALDH1A1KMT2AKDM4EGAA
SCHEMBL8052139 0.82 HTR1A (0.38) ALDH1A1KMT2AKDM4EGAAHTR2A

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
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
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 LMNA 4790/4885ALDH1A1 319/4885KMT2A 2536/4885

“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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