SCHEMBL3109735

SCHEMBL3109735

COc1ccc(Cn2nc(N3CCC(N4CCCC4)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.39
HRH3 Q9Y5N1 6/20 0.36
AXL P30530 1/20 0.35
PDE1B Q01064 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
OPRD1 P41143 4/20 0.34
KCNH2 Q12809 1/20 0.34
ACVR1 Q04771 2/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL3105883 0.89 PDE1B (0.40) AXLPDE1BOPRD1KCNH2ACVR1
SCHEMBL3103511 0.88 AXL (0.40) AXLPDE1BALDH1A1TSHRTLR7
SCHEMBL3097491 0.87 AXL (0.46) AXLPDE1BALDH1A1KCNH2SMN1; SMN2
SCHEMBL3101481 0.86 PDE1B (0.41) AXLPDE1BOPRD1KCNH2ACVR1
SCHEMBL3104000 0.86 PDE1B (0.41) AXLPDE1BOPRD1KCNH2ACVR1
SCHEMBL3101473 0.86 PDE1B (0.41) AXLPDE1BOPRD1KCNH2ACVR1
SCHEMBL3101329 0.84 AXL (0.35) AXLSMN1; SMN2TLR7
SCHEMBL3105710 0.84 AXL (0.42) AXLPDE1BTLR7
SCHEMBL3107960 0.83 AXL (0.34) AXLNPSR1OPRD1OPRM1OPRK1
SCHEMBL3107070 0.83 AXL (0.35) HRH3AXLOPRD1OPRM1OPRK1

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 GALR1 848/4885HRH3 758/4885AXL 117/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 GALR1 848/4885HRH3 758/4885AXL 117/4885

“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.