SCHEMBL3104366

SCHEMBL3104366

COCCNC(=O)c1ccc(-c2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.36
KDR P35968 4/20 0.36
AXL P30530 4/20 0.34
GCGR P47871 2/20 0.34
NTRK1 P04629 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
NTRK2 Q16620 1/20 0.34
MAPT P10636 1/20 0.34
LOX P28300 2/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
TP53 P04637 1/20 0.34
KCNK3 O14649 1/20 0.33
F10 P00742 1/20 0.33
HDAC1 Q13547 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
SCHEMBL3107229 0.95 MET (0.35) METKDRAXLGCGRKIT
SCHEMBL3113735 0.94 AXL (0.40) METKDRAXLGCGRMAPT
SCHEMBL3110040 0.92 CCR3 (0.39) METAXLMAPTTP53
SCHEMBL3106942 0.92 MET (0.38) METKDRAXLKITFLT3
SCHEMBL3111347 0.89 MET (0.37) METKDRAXLKITFLT3
SCHEMBL3097919 0.89 MET (0.35) METKDRAXLKITFLT3
SCHEMBL3094928 0.87 KCNK3 (0.40) METKDRAXLTP53KCNK3
SCHEMBL3107753 0.87 KCNK3 (0.39) METKDRAXLNTRK1KIT
SCHEMBL3116947 0.87 MET (0.36) METKDRAXLKITFLT3
SCHEMBL3111090 0.87 MET (0.35) METKDRAXLNTRK1KIT

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.