SCHEMBL3101695

SCHEMBL3101695

COc1ccc(Cn2nc(-c3ccc(C(=O)N4CCOCC4)cc3)c3c(Oc4cc(Cl)c(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4C)ccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.38
AXL P30530 16/20 0.38
MERTK Q12866 16/20 0.38
TYRO3 Q06418 12/20 0.38
KCNK3 O14649 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL3101359 0.89 AXL (0.50) METAXLMERTKTYRO3
SCHEMBL3103490 0.85 AXL (0.44) METAXLMERTKTYRO3
SCHEMBL3101737 0.84 AXL (0.48) METAXLMERTKTYRO3
SCHEMBL3104308 0.80 AXL (0.57) METAXLMERTKTYRO3
SCHEMBL3108790 0.78 AXL (0.49) METAXLMERTKTYRO3
SCHEMBL3104234 0.77 AXL (0.51) METAXLMERTKTYRO3
SCHEMBL3112956 0.77 SMN1; SMN2 (0.44) AXLKCNK3KDM4EMEN1KMT2A
SCHEMBL3100095 0.77 AXL (0.55) METAXLMERTKTYRO3
SCHEMBL3109135 0.76 AXL (0.54) METAXLMERTKTYRO3
SCHEMBL3101814 0.76 AXL (0.54) METAXLMERTKTYRO3

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 357/4885AXL 117/4885MERTK 285/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885AXL 117/4885MERTK 285/4885

“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.