SCHEMBL3110874

SCHEMBL3110874

Cn1c(CC2CCCCC2)ncc(-c2ccc(Oc3ccnc4[nH]nc(-c5ccc(C(=O)N6CCOCC6)cc5)c34)c(F)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
MET P08581 16/20 0.41
MST1R Q04912 4/20 0.41
HGF P14210 3/20 0.41
EGFR P00533 2/20 0.41
RPS6KB1 P23443 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
TEK Q02763 2/20 0.41
BTK Q06187 2/20 0.41
AURKA O14965 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
JAK2 O60674 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR2 P21802 1/20 0.39
BRD4 O60885 2/20 0.39
AXL P30530 7/20 0.36
MERTK Q12866 7/20 0.36
TYRO3 Q06418 6/20 0.36

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
SCHEMBL3104694 0.83 MET (0.55) LRRK2METMST1RHGFEGFR
SCHEMBL3109872 0.83 MET (0.43) LRRK2METMST1RHGFEGFR
SCHEMBL3111515 0.74 AXL (0.48) LRRK2METAXLMERTKTYRO3
SCHEMBL14411716 0.72 MET (0.45) LRRK2METMST1RHGFEGFR
SCHEMBL13101873 0.71 KDR (0.52) METMST1REGFRRPS6KB1FLT4
SCHEMBL3113693 0.70 AXL (0.64) METAXLMERTKTYRO3
SCHEMBL3111123 0.70 MET (0.45) LRRK2METKDRAXLMERTK
SCHEMBL3107037 0.69 LRRK2 (0.41) LRRK2METMST1REGFRRPS6KB1
SCHEMBL3101365 0.69 MET (0.46) METMST1RHGFEGFRRPS6KB1
SCHEMBL3111973 0.68 MIF (0.38) METMST1RHGF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US claimed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
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
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 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
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US 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 LRRK2 914/4885MET 357/4885MST1R 642/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 LRRK2 914/4885MET 357/4885MST1R 642/4885

“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.