SCHEMBL3112879

SCHEMBL3112879

COc1ccc(Cn2nc(-c3oc(CN4CCN(C)CC4)cc3Br)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.34
KDR P35968 5/20 0.32
AXL P30530 4/20 0.32
MERTK Q12866 2/20 0.32
RET P07949 2/20 0.32
KIT P10721 2/20 0.32
PDGFRA P16234 2/20 0.32
FLT3 P36888 2/20 0.32
PLK4 O00444 1/20 0.32
STK25 O00506 1/20 0.32
CIT O14578 1/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
MUSK O15146 1/20 0.32
EPHB6 O15197 1/20 0.32
MAPK13 O15264 1/20 0.32
MAP3K13 O43283 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP3K7 O43318 1/20 0.32
RIPK2 O43353 1/20 0.32

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
SCHEMBL3101444 0.89 MET (0.34) METKDRAXLMERTKRET
SCHEMBL3109172 0.85 MET (0.37) METKDRAXLMERTKRET
SCHEMBL3112871 0.84 MET (0.37) METAXLMERTKTYRO3
SCHEMBL3094928 0.84 KCNK3 (0.40) METKDRAXLJAK2ABL1
SCHEMBL3118239 0.84 MET (0.36) METKDRAXLMERTKRET
SCHEMBL3111347 0.83 MET (0.37) METKDRAXLMERTKRET
SCHEMBL3111107 0.82 MET (0.39) METKDRAXLMERTKRET
SCHEMBL3106942 0.82 MET (0.38) METKDRAXLMERTKRET
SCHEMBL3101305 0.82 MET (0.39) METKDRAXLMERTKRET
SCHEMBL3110247 0.81 MET (0.42) METKDRAXLMERTKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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 (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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MET 357/4885KDR 807/4885AXL 117/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885KDR 807/4885AXL 117/4885

“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.