SCHEMBL2743634

SCHEMBL2743634

COC(=O)c1ccc(Sc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.65
GAA P10253 1/20 0.47
VNN1 O95497 1/20 0.46
MAPK1 P28482 2/20 0.46
CXCR2 P25025 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
KDR P35968 6/20 0.45
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL6733879 0.87 BRAF (0.61) BRAFVNN1CXCR2MRGPRX4KDR
SCHEMBL2743332 0.86 BRAF (0.60) BRAFVNN1CXCR2MRGPRX4KDR
SCHEMBL2743334 0.85 BRAF (0.59) BRAFVNN1CXCR2KDRL3MBTL1
SCHEMBL26169590 0.81 CA1 (0.56) BRAFGAAMAPK1KDRKDM4E
SCHEMBL8806506 0.81 MAPK1 (0.54) GAAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL25222444 0.79 MAPT (0.51) BRAFMAPK1CXCR2KDRKDM4E
SCHEMBL30474819 0.79 MAPT (0.51) BRAFMAPK1CXCR2KDRKDM4E
SCHEMBL6339246 0.78 MAOB (0.51) GAALMNA
SCHEMBL8736565 0.78 BRAF (0.51) BRAFL3MBTL1ALDH1A1
SCHEMBL5128240 0.77 RXFP1 (0.56) VNN1MAPK1MRGPRX4KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868991-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2014-07-30 EP disclosed
EP-1868991-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2014-07-30 EP disclosed
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US disclosed
EP-1868991-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006107661-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-10-12 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 (1 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-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 BRAF 3912/4885GAA 829/4885VNN1 4198/4885

“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.