SCHEMBL3108762

SCHEMBL3108762

CN1CCN(C(=O)c2n[nH]c3nccc(Oc4ccc(N)cc4F)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.45
TLR7 Q9NYK1 2/20 0.41
MET P08581 9/20 0.40
KDR P35968 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
AXL P30530 9/20 0.38
MERTK Q12866 8/20 0.38
TYRO3 Q06418 5/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL3114543 0.90 AXL (0.40) METAXLMERTKTYRO3
SCHEMBL4791159 0.79 AXL (0.40) METAXLMERTKTYRO3
SCHEMBL3106648 0.77 AXL (0.69) METAXLMERTKTYRO3
SCHEMBL2539583 0.75 KDR (0.61) METKDR
SCHEMBL3095571 0.73 ROCK2 (0.41) METKDRAXLMERTKTYRO3
SCHEMBL13860820 0.71 KDR (0.51) METKDRAXLMERTKMAPK14
SCHEMBL3111981 0.71 AXL (0.39) METAXLMERTKTYRO3
SCHEMBL4720386 0.71 MET (0.39) METAXLMERTKTYRO3
SCHEMBL30975207 0.70 MET (0.54) TLR7METKDRAXL
SCHEMBL13101890 0.69 MET (0.53) METKDRAXLMERTK

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 TLR8 3057/4885TLR7 2137/4885MET 357/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 TLR8 3057/4885TLR7 2137/4885MET 357/4885

“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.