SCHEMBL3111161

SCHEMBL3111161

Cn1c(CC2CCCCC2)ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.49
MST1R Q04912 2/20 0.49
HGF P14210 1/20 0.49
AURKA O14965 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
RPS6KB1 P23443 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
BTK Q06187 1/20 0.42
GRM2 Q14416 2/20 0.42
FFAR1 O14842 4/20 0.41
PPARD Q03181 4/20 0.41
S1PR5 Q9H228 1/20 0.41
PRMT5 O14744 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL3913857 0.85 MET (0.65) METMST1RHGFAURKAEGFR
SCHEMBL3111973 0.81 MIF (0.38) METMST1RHGF
SCHEMBL3105466 0.80 MET (0.47) METMST1RHGFAURKAEGFR
SCHEMBL3912098 0.77 MET (0.51) METMST1RHGFAURKAEGFR
SCHEMBL2285292 0.76 MET (0.62) METMST1RHGFEGFRRPS6KB1
SCHEMBL2284650 0.76 GAA (0.50) METMST1RHGFKDRERN1
SCHEMBL2859648 0.76 MET (0.74) METMST1RHGFAURKAEGFR
SCHEMBL3913341 0.76 MET (0.46) METMST1RHGFAURKAEGFR
SCHEMBL3095522 0.74 MET (0.59) METMST1RHGFEGFRRPS6KB1
SCHEMBL3988884 0.73 ERN1 (0.45) METMST1RHGFGRM2FFAR1

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 357/4885MST1R 642/4885HGF 1730/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885MST1R 642/4885HGF 1730/4885

“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.