SCHEMBL12847422

SCHEMBL12847422

CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(N)c2N)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.41
MAPK12 P53778 2/20 0.41
MAPK14 Q16539 2/20 0.41
HCK P08631 2/20 0.41
EPHX2 P34913 1/20 0.40
METAP1 P53582 1/20 0.39
PDE4D Q08499 3/20 0.38
KDR P35968 4/20 0.38
PIK3CD O00329 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PRKDC P78527 2/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
EPHB4 P54760 1/20 0.38
MAP4K4 O95819 1/20 0.37
BRAF P15056 3/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL12790198 0.92 HTT (0.41) SRCMAPK12MAPK14HCKEPHX2
SCHEMBL2936138 0.89 BRAF (0.43) SRCMAPK12MAPK14KDRBRAF
SCHEMBL12847306 0.87 MAPT (0.43) SRCMAPK12MAPK14HCKEPHX2
SCHEMBL13667124 0.83 METAP1 (0.41) SRCMAPK12MAPK14HCKMETAP1
SCHEMBL28698588 0.81 CYP17A1 (0.38) SRCMAPK14HCKMETAP1KDR
SCHEMBL12847501 0.79 MAPT (0.39) METAP1TDP2KDM4EGAA
SCHEMBL28690846 0.78 METAP1 (0.39) SRCHCKMETAP1KDRPIK3CD
SCHEMBL13667088 0.78 KDM4E (0.39) METAP1KDRBRAFBRD4TDP2
SCHEMBL13666956 0.77 HTR1A (0.35) SRCMAPK12MAPK14HCKPDE4D
SCHEMBL14723649 0.77 SLC40A1 (0.45) SRCMAPK12MAPK14HCKMETAP1

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
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
WO-2009130487-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-29 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-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF SRC 31/4885MAPK12 90/4885MAPK14 338/4885

“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.