SCHEMBL5052146

SCHEMBL5052146

Cn1ccc2cc(-c3nc(C(C)(C)C)ncc3NC(=O)Nc3cc(-c4cc5cncnc5n(C)c4=O)ccc3F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.39
RAF1 P04049 5/20 0.39
KDR P35968 5/20 0.39
KRAS P01116 4/20 0.39
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SRC P12931 3/20 0.34
ABL1 P00519 2/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HTR2B P41595 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5061791 0.91 CYP1A2 (0.39) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4419440 0.89 BRAF (0.48) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5054892 0.86 HTR2B (0.39) BRAFRAF1KDRCYP1A2CYP3A4
SCHEMBL4274689 0.76 BRAF (0.49) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4275692 0.75 BRAF (0.49) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5054692 0.75 BRAF (0.47) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5060173 0.75 BRAF (0.47) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5056343 0.75 BRAF (0.47) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5062456 0.74 BRAF (0.47) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5059965 0.74 BRAF (0.46) BRAFRAF1KDRKRASCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed
EP-1947076-B1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS IDEMITSU KOSAN CO (JP) 2014-08-13 EP disclosed
EP-1947076-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND AND AROMATIC COMPOUND OBTAINED BY THE PROCESS Idemitsu Kosan Co., Ltd. (JP) 2008-07-23 EP disclosed
EP-1659129-A1 COORDINATION METAL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, MATERIAL FOR LUMINESCENT COATING FORMATION AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2006-05-24 EP 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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 BRAF 2/4885RAF1 55/4885KDR 41/4885

“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.