SCHEMBL68777

SCHEMBL68777

CC(OCn1c(-c2ccc(C(F)(F)F)cc2)nc(Br)c1Br)[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
CASR P41180 3/20 0.34
PTPN1 P18031 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MYC P01106 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PPARD Q03181 2/20 0.32
ALDH1A1 P00352 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL66909 0.80 DGAT1 (0.47) LMNATHRBCASRPTPN1SIGMAR1
SCHEMBL6984533 0.68 DGAT1 (0.43) LMNAKDM4EALDH1A1
SCHEMBL68112 0.65 DGAT1 (0.41) MYCKDM4EALDH1A1
SCHEMBL2427042 0.64
SCHEMBL27216894 0.59 SIGMAR1 (0.55) LMNATHRBSIGMAR1KDM4E
SCHEMBL9143201 0.58 SIGMAR1 (0.43) LMNATHRBSIGMAR1KDM4EALDH1A1
SCHEMBL9146555 0.58 RPS6KB1 (0.45) LMNATHRBSIGMAR1ALDH1A1
SCHEMBL26911467 0.58 HIF1A (0.49) LMNAKDM4EALDH1A1
SCHEMBL9141941 0.58 MCHR1 (0.40) LMNATHRBSIGMAR1KDM4E
SCHEMBL8989180 0.58 PPARD (0.40) LMNASIGMAR1KDM4EPPARDALDH1A1

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 LMNA 2861/4885THRB 1295/4885CASR 3258/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS LMNA 3165/4885THRB 2222/4885CASR 4709/4885

“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.