SCHEMBL3107229

SCHEMBL3107229

COc1ccc(Cn2nc(-c3ccc(C(=O)NCCO)cc3)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.35
KDR P35968 3/20 0.34
GCGR P47871 2/20 0.34
MAPT P10636 1/20 0.34
AXL P30530 2/20 0.33
BRD4 O60885 1/20 0.33
KCNK3 O14649 1/20 0.33
HDAC1 Q13547 1/20 0.33
NAMPT P43490 1/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
ASIC1 P78348 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
SCHEMBL3104366 0.95 MET (0.36) METKDRGCGRMAPTAXL
SCHEMBL3113735 0.94 AXL (0.40) METKDRGCGRMAPTAXL
SCHEMBL3110040 0.92 CCR3 (0.39) METMAPTAXL
SCHEMBL3106942 0.92 MET (0.38) METKDRAXLKCNK3RET
SCHEMBL3111347 0.89 MET (0.37) METKDRAXLKCNK3RET
SCHEMBL3097919 0.89 MET (0.35) METKDRAXLKCNK3RET
SCHEMBL3094928 0.87 KCNK3 (0.40) METKDRAXLBRD4KCNK3
SCHEMBL3107753 0.87 KCNK3 (0.39) METKDRMAPTAXLBRD4
SCHEMBL3116947 0.87 MET (0.36) METKDRAXLHDAC1RET
SCHEMBL3111090 0.87 MET (0.35) METKDRMAPTAXLKCNK3

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 807/4885GCGR 470/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885KDR 807/4885GCGR 470/4885

“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.