SCHEMBL68028

SCHEMBL68028

COc1cc(-c2nc(N3CCNCC3)n(COCC[Si](C)(C)C)c2Br)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 13/20 0.42
TGFBR1 P36897 9/20 0.42
FYN P06241 1/20 0.41
NOD2 Q9HC29 5/20 0.39
RIPK2 O43353 4/20 0.39
ALK Q9UM73 3/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL68061 0.86 PRMT5 (0.35) ACVR1FYNNOD2RIPK2
SCHEMBL84579 0.79 DGAT1 (0.39) FYN
SCHEMBL4842921 0.78 HTR2C (0.38)
SCHEMBL67109 0.78 TNIK (0.43) FYNALK
SCHEMBL68342 0.74 PIM1 (0.41)
SCHEMBL68587 0.73 PRMT5 (0.34) ACVR1FYNNOD2RIPK2
SCHEMBL5201005 0.70 HTR2C (0.34)
SCHEMBL15181498 0.68 DGAT1 (0.40)
SCHEMBL4853070 0.68 HTR2C (0.38)
SCHEMBL4847436 0.67 HTR2C (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS ACVR1 3334/4885TGFBR1 4497/4885FYN 628/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ACVR1 2882/4885TGFBR1 4502/4885FYN 520/4885

“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.