SCHEMBL8058982

SCHEMBL8058982

CC(C)[C@H](CO)Nc1nc(N2CCC(c3cccc(C#N)c3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 8/20 0.37
▸ DRD2 P14416 8/20 0.37
▸ USP30 Q70CQ3 1/20 0.34
▸ AOC3 Q16853 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ TP53 P04637 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
SCHEMBL12921309 0.92 DRD2 (0.33) DRD3DRD2
SCHEMBL15976735 0.91 DRD3 (0.36) DRD3DRD2USP30AOC3CYP2D6
SCHEMBL8058370 0.91 SCN9A (0.35) SCN9A
SCHEMBL12921209 0.89 SOS1 (0.37) AOC3
SCHEMBL8053421 0.89 DRD2 (0.36) DRD3DRD2
SCHEMBL8060129 0.88 CDK1 (0.36) DRD3DRD2AOC3CYP2D6TSHR
SCHEMBL12921221 0.88 KDM4E (0.36) DRD3TSHRNPSR1SCN9A
SCHEMBL8056390 0.86 DRD2 (0.36) DRD2
SCHEMBL15976807 0.85 SOS1 (0.32) SCN9A
SCHEMBL10266538 0.85 SOS1 (0.34) SCN9A

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
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
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 DRD3 1481/4885DRD2 1834/4885USP30 3669/4885

“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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