SCHEMBL3097491

SCHEMBL3097491

COc1ccc(Cn2nc(N3CCOCC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.46
PDE10A Q9Y233 1/20 0.39
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
IL6 P05231 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PLA2G7 Q13093 1/20 0.35
GRIA1 P42261 1/20 0.35
CACNG2 Q9Y698 1/20 0.35
LRRK2 Q5S007 2/20 0.35
PDE1B Q01064 1/20 0.35
GPR6 P46095 1/20 0.35
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL3103511 0.92 AXL (0.40) AXLIL6TLR7PDE1BALDH1A1
SCHEMBL3105883 0.87 PDE1B (0.40) AXLKCNH2PDE1BGPR6CSF1R
SCHEMBL3105710 0.87 AXL (0.42) AXLMAPTIL6TLR7PDE1B
SCHEMBL3109735 0.87 GALR1 (0.39) AXLKCNH2SMN1; SMN2TLR7PDE1B
SCHEMBL1944006 0.85 AXL (0.52) AXLKCNH2SMN1; SMN2IL6TLR7
SCHEMBL3101473 0.84 PDE1B (0.41) AXLKCNH2PDE1B
SCHEMBL3104000 0.84 PDE1B (0.41) AXLKCNH2PDE1B
SCHEMBL3101481 0.84 PDE1B (0.41) AXLKCNH2PDE1B
SCHEMBL3097478 0.84 KDM1A (0.41) SMN1; SMN2MAPTTLR7ALDH1A1
SCHEMBL3104428 0.83 CYP1A2 (0.39) 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 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 AXL 117/4885PDE10A 2805/4885KCNH2 3388/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 AXL 117/4885PDE10A 2805/4885KCNH2 3388/4885

“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.