SCHEMBL3868322

SCHEMBL3868322

CCCC[Sn](CCCC)(CCCC)c1ccc(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KAT2B Q92831 1/20 0.32

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
SCHEMBL591209 0.86
SCHEMBL1253872 0.80
SCHEMBL658838 0.78 PRMT6 (0.31) SMN1; SMN2
SCHEMBL1992492 0.78
SCHEMBL3327495 0.77 JAK2 (0.30) KMT2A
SCHEMBL15721102 0.77 MEN1 (0.32) MEN1TSHRHTTKMT2A
SCHEMBL29981380 0.77
SCHEMBL30460336 0.77
SCHEMBL16552854 0.77 ALDH1A1 (0.30)
SCHEMBL29048425 0.76

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 13 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
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 EP 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
EP-2951173-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-09 EP disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 US disclosed
WO-2015018534-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-02-12 WO disclosed
WO-2014117948-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2014-08-07 WO disclosed
US-7531655-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1556376-B1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-16 EP disclosed
US-20060135597-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO, LTD. (JP) 2006-06-22 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 (3 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-20060135597-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN3, KCNN2 MEN1 1825/4885TSHR 2943/4885HTT 2399/4885
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD MEN1 3652/4885TSHR 4742/4885HTT 4389/4885
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP MEN1 3884/4885TSHR 4662/4885HTT 4407/4885

“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.