SCHEMBL3450866

SCHEMBL3450866

CCCN1CCN(CCCOc2ccc3nc(C#N)nc(NCC(C)(C)C)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 12/20 0.48
EHMT2 Q96KQ7 8/20 0.48
PRMT1 Q99873 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
CTSK P43235 1/20 0.39
KMT5A Q9NQR1 1/20 0.39
SLC2A1 P11166 1/20 0.39
CARM1 Q86X55 1/20 0.38
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3451892 0.92 NSD2 (0.46) NSD2EHMT2PRMT1EHMT1CTSK
SCHEMBL3451605 0.90 NSD2 (0.51) NSD2EHMT2PRMT1EHMT1SLC2A1
SCHEMBL3450516 0.75 CTSL (0.41) NSD2CTSK
SCHEMBL3451091 0.74 KCNA5 (0.43) NSD2CTSK
SCHEMBL3450786 0.72 CTSL (0.49) CTSK
SCHEMBL3450506 0.72 NSD2 (0.56) NSD2EHMT2PRMT1EHMT1CTSK
SCHEMBL31016459 0.65 NSD2 (1.00) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL5792073 0.64 CTSS (0.51) CTSK
SCHEMBL5789840 0.62 CTSS (0.51) CTSK
SCHEMBL31016460 0.62 NSD2 (1.00) NSD2EHMT2PRMT1EHMT1

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.