SCHEMBL8054741

SCHEMBL8054741

[O-][S+]1CCc2nc(N3CCC(c4nc(-c5ccncc5)no4)CC3)nc(NC3(CO)CC3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ LMNA P02545 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GAA P10253 4/20 0.36
▸ LATS1 O95835 2/20 0.35
▸ LATS2 Q9NRM7 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 4/20 0.35
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34

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
SCHEMBL12209687 0.93 TUBB4A (0.41) CNR2SMN1; SMN2LMNATSHREPHX2
SCHEMBL8055223 0.91 PPARA (0.43) CNR2SMN1; SMN2LMNATSHRKDM4E
SCHEMBL8053179 0.85 MTOR (0.32) LATS1LATS2
SCHEMBL8053865 0.85 GPR119 (0.32) EPHX2
SCHEMBL7712510 0.83 SMN1; SMN2 (0.44) CNR2SMN1; SMN2LMNATSHRCYP1A2
SCHEMBL187438 0.83 SMN1; SMN2 (0.44) CNR2SMN1; SMN2LMNATSHRCYP1A2
SCHEMBL10266438 0.83 GPR119 (0.35) CNR2CYP3A4CYP2C19EPHX2KCNH2
SCHEMBL12208922 0.82 CNR2 (0.42) CNR2SMN1; SMN2LMNATSHRCYP1A2
SCHEMBL516213 0.80 ITGB3 (0.33) TSHRCYP3A4CYP2D6CYP2C9LATS1
SCHEMBL12921226 0.79 PDE4D (0.34) KDM4EGAASCN9AALDH1A1

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 CNR2 306/4885SMN1; SMN2 338/4885LMNA 4790/4885

“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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