SCHEMBL3450506

SCHEMBL3450506

CN1CCN(CCOc2ccc3nc(C#N)nc(NC4CCCC4)c3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 17/20 0.56
EHMT2 Q96KQ7 7/20 0.56
CTSL P07711 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
EHMT1 Q9H9B1 2/20 0.49
PRMT1 Q99873 1/20 0.49
CARM1 Q86X55 1/20 0.46

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
SCHEMBL3450289 0.84 NSD2 (0.56) NSD2EHMT2CTSLCTSSCTSK
SCHEMBL3451892 0.73 NSD2 (0.46) NSD2EHMT2CTSLCTSSCTSK
SCHEMBL3451534 0.72 NSD2 (0.60) NSD2
SCHEMBL3450866 0.72 NSD2 (0.48) NSD2EHMT2CTSKEHMT1PRMT1
SCHEMBL12639828 0.71 KDM4E (0.56)
SCHEMBL3451605 0.70 NSD2 (0.51) NSD2EHMT2EHMT1PRMT1CARM1
SCHEMBL21067617 0.69 CTSL (1.00) NSD2EHMT2CTSLCTSSCTSK
SCHEMBL8346922 0.69 CTSS (0.52) NSD2EHMT2CTSLCTSSCTSK
SCHEMBL3451342 0.69 NSD2 (0.44) NSD2CTSLCTSSCTSK
SCHEMBL6364295 0.69 AURKA (0.44) EHMT2

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-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 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 (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-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ NSD2 1737/4885EHMT2 4193/4885CTSL 10/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE NSD2 1922/4885EHMT2 2638/4885CTSL 12/4885

“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.