SCHEMBL8057582

SCHEMBL8057582

COc1ccc(C2CCN(c3nc4c(c(NC5(CO)CC5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ HTR2A P28223 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ USP5 P45974 1/20 0.32
▸ GRM2 Q14416 2/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ AOC3 Q16853 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL15976812 1.00 DRD2 (0.34) DRD2CCNE2CCNE1CDK2HTR2A
SCHEMBL12921205 0.91 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10267069 0.90 PIK3R1 (0.30) PIK3R1PIK3CAPDE4D
SCHEMBL8053179 0.90 MTOR (0.32) —
SCHEMBL8061192 0.89 PDE4D (0.34) HPGDALDH1A1NPSR1MAPTPIK3R1
SCHEMBL12209419 0.89 — —
SCHEMBL187529 0.89 MMP2 (0.33) DRD2HTR2A
SCHEMBL973013 0.89 HTR2A (0.31) HTR2A
SCHEMBL8058980 0.89 HTR2A (0.32) HTR2APIK3R1PIK3CA
SCHEMBL12921226 0.89 PDE4D (0.34) ALDH1A1SIGMAR1PDE4DGAA

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 9 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-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 — — 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 DRD2 1834/4885CCNE2 480/4885CCNE1 229/4885

“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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