SCHEMBL12376874

SCHEMBL12376874

CCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 19/20 0.55
MET P08581 12/20 0.55
MERTK Q12866 8/20 0.55
AURKA O14965 1/20 0.55
RIPK2 O43353 1/20 0.55
ABCB11 O95342 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
PGR P06401 1/20 0.55
LYN P07948 1/20 0.55
RET P07949 1/20 0.55
CHRM2 P08172 1/20 0.55
HCK P08631 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
KIT P10721 1/20 0.55
CHRM1 P11229 1/20 0.55

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
SCHEMBL12376879 0.93 AXL (0.48) AXLMETMERTKAURKARIPK2
SCHEMBL12376839 0.92 MET (0.58) AXLMETMERTKNTRK1RET
SCHEMBL12376881 0.91 MET (0.51) AXLMETMERTKAURKARIPK2
SCHEMBL12376880 0.91 MET (0.46) AXLMETMERTKAURKARIPK2
SCHEMBL12376882 0.90 MET (0.55) AXLMETMERTKAURKARIPK2
SCHEMBL12409563 0.85 AXL (0.59) AXLMETMERTKAURKARIPK2
SCHEMBL2288195 0.84 AXL (0.38) AXLMETMERTKAURKARIPK2
SCHEMBL2285296 0.80 MET (0.51) METKITFLT1KDR
SCHEMBL2278396 0.80 KDR (0.43) METKITFLT1KDR
SCHEMBL2285721 0.79 KDR (0.35) AXLMETMERTKAURKARIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC AXL 102/4885MET 142/4885MERTK 74/4885

“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.