SCHEMBL12208922

SCHEMBL12208922

[O-][S+]1CCc2nc(N3CCC(c4nc(-c5ccncc5)no4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 9/20 0.40
▸ LMNA P02545 7/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 4/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 5/20 0.36
▸ POLB P06746 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ SMO Q99835 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8054862 0.93 LMNA (0.39) CNR2SMN1; SMN2LMNAKDM4EGAA
SCHEMBL8060121 0.91 PPARA (0.45) CNR2SMN1; SMN2LMNATSHRKDM4E
SCHEMBL12921584 0.86 SMN1; SMN2 (0.40) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8051590 0.85 PDE4D (0.36) —
SCHEMBL8040697 0.84 PDE4D (0.35) —
SCHEMBL194991 0.83 PDE4D (0.35) —
SCHEMBL8054741 0.82 CNR2 (0.40) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8054235 0.82 CNR2 (0.37) CNR2CYP3A4CYP2C19EPHX2
SCHEMBL7712510 0.81 SMN1; SMN2 (0.44) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL186976 0.81 CNR2 (0.42) CNR2CYP1A2CYP3A4CYP2D6CYP2C9

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
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-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

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 CNR2 306/4885CYP1A2 629/4885CYP3A4 594/4885

“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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