SCHEMBL12879551

SCHEMBL12879551

Cc1ccc(N2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)[S+]([O-])CC4)[C@@H](C)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 4/20 0.34
▸ ACACB O00763 1/20 0.32
▸ EGFR P00533 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
SCHEMBL12879545 1.00 SORD (0.34) SORDACACBEGFR
SCHEMBL1202336 0.93 HSD11B1 (0.35) SORDACACB
SCHEMBL8046502 0.93 HSD11B1 (0.35) SORDACACB
SCHEMBL16503379 0.93 HSD11B1 (0.35) SORDACACB
SCHEMBL12879553 0.82 ACACB (0.32) SORDACACB
SCHEMBL3046733 0.81 HTR3A (0.36) EGFR
SCHEMBL588851 0.81 CDK1 (0.34) EGFR
SCHEMBL3046737 0.81 HTR3A (0.36) EGFR
SCHEMBL12921203 0.80 ALDH1A1 (0.32) —
SCHEMBL7715595 0.80 CCNA2 (0.33) EGFR

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 4 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-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-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 SORD 966/4885ACACB 4299/4885EGFR 520/4885
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES PDE4A, PDE12, PDE4B SORD 218/4885ACACB 3699/4885EGFR 4876/4885

“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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