Sugi Predict

Sugi Predict / Compounds / SCHEMBL66844

SCHEMBL66844

SCHEMBL66844

CCS(=O)(=O)N1CCN(c2nc(-c3ccncc3)c(-c3cnc(N)c(OC)c3)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.40
▸ MAP3K11 Q16584 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ CYP21A2 P08686 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ ACVR1 Q04771 3/20 0.34
▸ NOD2 Q9HC29 2/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL68131 0.96 PRMT5 (0.40) PRMT5MAP3K11TBK1CYP17A1CYP21A2
SCHEMBL13693462 0.85 MAP3K11 (0.37) MAP3K11PIK3CAROCK2ROCK1ACVR1
SCHEMBL15181616 0.84 CYP17A1 (0.38) PRMT5CYP17A1CYP21A2CYP11B1CYP3A4
SCHEMBL91596 0.82 ROCK2 (0.38) MAP3K11CYP3A4ROCK2ROCK1ACVR1
SCHEMBL67138 0.75 PDGFRB (0.44) CYP3A4KDM4EPDGFRBPDGFRA
SCHEMBL69042 0.73 ALOX5 (0.60) ALDH1A1
SCHEMBL68587 0.73 PRMT5 (0.34) PRMT5TBK1CYP17A1CYP21A2CYP11B1
SCHEMBL68206 0.73 CSNK1A1 (0.51) MAP3K11PDGFRBPDGFRA
SCHEMBL67025 0.72 MAPK13 (0.61) MAPT
SCHEMBL67076 0.72 KDM4E (0.52) KDM4EALDH1A1MAPT

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 8 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-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-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
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — 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 (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 PRMT5 2251/4885MAP3K11 72/4885TBK1 295/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PRMT5 1689/4885MAP3K11 28/4885TBK1 569/4885

“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.