SCHEMBL3107599

SCHEMBL3107599

COc1ccc(Cn2nc(C)c3c(Oc4ccc(NC(=O)C5CCNC5=O)cc4F)ccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.47
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
NR3C1 P04150 3/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL3104658 0.88 MET (0.53) METTP53MAPTRXFP1AXL
SCHEMBL3112724 0.81 MET (0.52) METAXLMERTKKDR
SCHEMBL3114954 0.80 TP53 (0.44) METTP53MAPTRXFP1NR3C1
SCHEMBL3101683 0.78 MET (0.60) METAXLKDR
SCHEMBL3104134 0.77 AXL (0.51) METAXLMERTK
SCHEMBL3112710 0.76 MET (0.60) METAXLMERTKKDR
SCHEMBL3107620 0.76 MET (0.47) METAXLMERTKKDR
SCHEMBL3104428 0.76 CYP1A2 (0.39) MAPTAXLNR3C1
SCHEMBL18467359 0.75 AXL (0.50) METAXLMERTKKDR
SCHEMBL3101505 0.74 MAPT (0.45) MAPT

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 357/4885TP53 390/4885MAPT 538/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885TP53 390/4885MAPT 538/4885

“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.