SCHEMBL374458

SCHEMBL374458

Nc1ccc(F)cc1.O=C(O)C1(C(=O)Nc2ccc(O)c(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.48
KDR P35968 6/20 0.47
RET P07949 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47
AXL P30530 2/20 0.42
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL29693549 0.87 MET (0.54) METKDRRETKITPDGFRA
SCHEMBL4401200 0.87 MET (0.54) METKDRRETKITPDGFRA
4-Aminophenol SCHEMBL374608 0.86 MET (0.46) METKDRRETKITPDGFRA
SCHEMBL20003907 0.81 MET (0.47) METKDRRETKITPDGFRA
SCHEMBL18256972 0.81 MET (0.54) METKDRRETKITPDGFRA
SCHEMBL28667209 0.81 RAB9A (0.52) METFLT3
SCHEMBL105644 0.81 ALDH1A1 (0.48) METKDRRETKITPDGFRA
SCHEMBL18256911 0.80 KDR (0.52) METKDRRETKITPDGFRA
SCHEMBL2280125 0.79 MET (0.47) METKDRRETKITPDGFRA
SCHEMBL373876 0.78 MET (0.52) METKDRRETKITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US disclosed
EP-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed
US-8067436-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2011-11-29 US disclosed
EP-1673085-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2011-11-09 EP disclosed
EP-2210607-B1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer EXELIXIS INC (US) 2011-08-17 EP disclosed
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 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 (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-20120022065-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MET 2/4885KDR 5/4885RET 35/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MET 2/4885KDR 5/4885RET 35/4885

“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.