SCHEMBL3451892

SCHEMBL3451892

COCCN1CCN(CCCOc2ccc3nc(C#N)nc(NCC(C)(C)C)c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 13/20 0.46
EHMT2 Q96KQ7 8/20 0.46
PRMT1 Q99873 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
CTSK P43235 2/20 0.41
KMT5A Q9NQR1 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CARM1 Q86X55 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 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
SCHEMBL3450866 0.92 NSD2 (0.48) NSD2EHMT2PRMT1EHMT1CTSK
SCHEMBL3451605 0.90 NSD2 (0.51) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL3451342 0.79 NSD2 (0.44) NSD2CTSKCTSLCTSS
SCHEMBL3450516 0.74 CTSL (0.41) NSD2CTSKPDE3BPDE3ACTSL
SCHEMBL5792073 0.73 CTSS (0.51) CTSKCTSLCTSS
SCHEMBL3451091 0.73 KCNA5 (0.43) NSD2CTSKCTSLCTSS
SCHEMBL3450506 0.73 NSD2 (0.56) NSD2EHMT2PRMT1EHMT1CTSK
SCHEMBL3450786 0.72 CTSL (0.49) CTSKMEN1KMT2ACTSLCTSS
SCHEMBL3449971 0.71 CCNE2 (0.42) NSD2CTSKCTSLCTSS
SCHEMBL3451352 0.67 NSD2 (0.43) NSD2CTSKCTSLCTSS

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 4193/4885PRMT1 1033/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE NSD2 1922/4885EHMT2 2638/4885PRMT1 1006/4885

“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.