SCHEMBL3097659

SCHEMBL3097659

COc1ccc(Cn2nc(-c3cncn3C)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.37
BUB1 O43683 8/20 0.35
AXL P30530 2/20 0.35
PDE5A O76074 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
IDO1 P14902 1/20 0.31
MAPT P10636 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL3108799 0.85 AXL (0.36) BTKBUB1AXLPDE5AMAPT
SCHEMBL3104428 0.83 CYP1A2 (0.39) BTKAXLMAPT
SCHEMBL28780214 0.83 BTK (0.42) BTKBUB1AXLPDE5AMAPT
SCHEMBL1944519 0.82 AXL (0.38) BTKBUB1AXLMAPT
SCHEMBL3107429 0.80 AXL (0.36) BTKBUB1AXLPDE5AMAPT
SCHEMBL3103511 0.79 AXL (0.40) AXLHTR6
SCHEMBL3104365 0.79 AXL (0.36) BTKBUB1AXLMAPT
SCHEMBL21777935 0.78 AXL (0.36) BTKBUB1AXLMAPT
SCHEMBL3108891 0.77 AXL (0.53) AXL
SCHEMBL3111179 0.77 ALDH1A1 (0.45) BUB1AXLMAPT

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