SCHEMBL16447032

SCHEMBL16447032

COC(=O)Cc1c(C)nc(-c2ccc(OC)c(F)c2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.47
▸ PDE4B Q07343 11/20 0.44
▸ PDE4D Q08499 8/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ XDH P47989 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16446133 0.91 GAA (0.51) PDE4BPDE4DLMNAMAPK1HTT
SCHEMBL16446403 0.88 DCTPP1 (0.46) DCTPP1PDE4BPDE4DLMNAMAPK1
SCHEMBL19118422 0.77 RAB9A (0.43) PDE4BPDE4DLMNAMAPK1HTT
SCHEMBL16446720 0.76 PDE4B (0.39) PDE4BPDE4DLMNAMAPK1HTT
SCHEMBL7309250 0.71 PDE3B (0.44) DCTPP1GAAKDM4EALDH1A1HPGD
SCHEMBL4601245 0.71 RAB9A (0.52) PDE4BLMNAMAPK1HTTRAB9A
SCHEMBL16446545 0.70 PDE4B (0.36) PDE4BPDE4DLMNARAB9AKDM4E
SCHEMBL19118467 0.70 RAB9A (0.42) PDE4BPDE4DLMNAMAPK1HTT
SCHEMBL25082162 0.69 ABCG2 (0.58) LMNAABCB1ABCC1ABCG2PDGFRB
SCHEMBL1039522 0.69 HTT (0.51) LMNAMAPK1HTTRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030565-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-19 — — EP disclosed
US-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 — — US disclosed
EP-3030565-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-15 — — EP disclosed
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 — — US disclosed
WO-2015018534-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-02-12 — — 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP DCTPP1 27/4885PDE4B 2/4885PDE4D 8/4885

“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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