SCHEMBL3108799

SCHEMBL3108799

COc1ccc(Cn2nc(-c3nccn3C)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.36
BTK Q06187 2/20 0.36
BUB1 O43683 4/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE5A O76074 1/20 0.32
MAPT P10636 1/20 0.32
MET P08581 2/20 0.32
KDR P35968 2/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
NR3C1 P04150 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
SCHEMBL3104428 0.86 CYP1A2 (0.39) AXLBTKMAPTNR3C1
SCHEMBL3097659 0.85 BTK (0.37) AXLBTKBUB1PDE5AMAPT
SCHEMBL28780214 0.84 BTK (0.42) AXLBTKBUB1MEN1KMT2A
SCHEMBL1944519 0.83 AXL (0.38) AXLBTKBUB1MAPTMET
SCHEMBL3107429 0.81 AXL (0.36) AXLBTKBUB1PDE5AMAPT
SCHEMBL3103511 0.81 AXL (0.40) AXLMETKDR
SCHEMBL3104365 0.80 AXL (0.36) AXLBTKBUB1MAPTMET
SCHEMBL21777935 0.80 AXL (0.36) AXLBTKBUB1MAPTMET
SCHEMBL27761968 0.78 CCNT1 (0.39) AXLBTKMEN1KMT2AMET
SCHEMBL3097491 0.78 AXL (0.46) AXLMAPT

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 AXL 117/4885BTK 314/4885BUB1 670/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 AXL 117/4885BTK 314/4885BUB1 670/4885

“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.