SCHEMBL3106580

SCHEMBL3106580

COc1ccc(Cn2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c3c(Oc4ccc(NC(=O)C56CC5CN(c5ccc(F)cc5)C6=O)cc4F)ccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.45
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
AXL P30530 5/20 0.36
KDR P35968 4/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
TLR9 Q9NR96 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3101250 0.89 MET (0.46) METAXLKDRMERTK
SCHEMBL3095300 0.83 AXL (0.53) METAXLTYRO3MERTK
SCHEMBL3099944 0.81 AXL (0.51) METAXLTYRO3MERTK
SCHEMBL3097478 0.81 KDM1A (0.41) GALR2GALR1TLR9LMNAMAPT
SCHEMBL4864644 0.79 TLR9 (0.40) GALR2GALR1TLR9LMNAMAPT
SCHEMBL3101774 0.79 AXL (0.52) METAXLTYRO3MERTK
SCHEMBL3108841 0.78 GALR2 (0.44) GALR2GALR1TLR9LMNAMAPT
SCHEMBL3104234 0.77 AXL (0.51) METAXLTYRO3MERTK
SCHEMBL3108033 0.76 AOC3 (0.38) GALR2GALR1AXLMERTKTLR9
SCHEMBL3113794 0.75 AXL (0.50) METAXLTYRO3MERTK

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 3 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
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US 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 357/4885GALR2 964/4885GALR1 848/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885GALR2 964/4885GALR1 848/4885

“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.