SCHEMBL8055470

SCHEMBL8055470

COC(=O)c1ccc(C2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ RBP4 P02753 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ TSHR P16473 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ AXL P30530 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 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
SCHEMBL10266538 0.91 SOS1 (0.34) PDE4DSOS1RBP4AXLCHRM2
SCHEMBL8055479 0.90 CCNE2 (0.35) TSHRALDH1A1GAAHPGDHSD17B10
SCHEMBL373806 0.88 TP53 (0.32) ALDH1A1KDM4EMTOR
SCHEMBL12921203 0.88 ALDH1A1 (0.32) POLBSOS1ALDH1A1KDM4EKMT2A
SCHEMBL187793 0.88 CCR1 (0.34) SCN9A
SCHEMBL7708685 0.88 CCR1 (0.34) SCN9A
SCHEMBL12921216 0.85 ACACB (0.30) —
SCHEMBL8056390 0.84 DRD2 (0.36) SOS1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL8061192 0.83 PDE4D (0.34) PDE4DPOLBTRPV1TSHRALDH1A1
SCHEMBL8053421 0.82 DRD2 (0.36) MTOR

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 7 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
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 PDE4D 2859/4885POLB 1624/4885SOS1 1344/4885

“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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