SCHEMBL1202336

SCHEMBL1202336

CC(C)[C@H](CO)Nc1nc(N2CCN(c3ccc(Cl)cc3)C[C@H]2C)nc2c1[S+]([O-])CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ SORD Q00796 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL8046502 1.00 HSD11B1 (0.35) HSD11B1CYP1A2CYP2D6GSK3BSORD
SCHEMBL16503379 1.00 HSD11B1 (0.35) HSD11B1CYP1A2CYP2D6GSK3BSORD
SCHEMBL12879545 0.93 SORD (0.34) SORDACACB
SCHEMBL12879551 0.93 SORD (0.34) SORDACACB
SCHEMBL3046737 0.89 HTR3A (0.36) TRPV3CDK1CCNE1CDK2
SCHEMBL3046733 0.89 HTR3A (0.36) TRPV3CDK1CCNE1CDK2
SCHEMBL8059391 0.83 HSD11B1 (0.37) HSD11B1CYP1A2CYP2D6GSK3BACACB
SCHEMBL187793 0.81 CCR1 (0.34) CDK1
SCHEMBL7708685 0.81 CCR1 (0.34) CDK1
SCHEMBL12872295 0.81 TRPV3 (0.39) LMNATRPV3CDK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — US disclosed
US-8486948-B2 Piperazinodihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 — — US disclosed
US-8486948-B2 Piperazinodihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 — — US disclosed
US-8486948-B2 Piperazinodihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 — — US disclosed
EP-2215093-B1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2011-12-14 — — EP disclosed
EP-2215093-B1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2011-12-14 — — EP disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — US disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — US disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — 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 (2 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-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES DPYD, PRDX5, PRDX1 HSD11B1 4135/4885CYP1A2 907/4885CYP2D6 91/4885
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES PDE4A, PDE12, PDE4B HSD11B1 151/4885CYP1A2 272/4885CYP2D6 45/4885

“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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