SCHEMBL3109748

SCHEMBL3109748

CNC(=O)c1cccc(-c2n[nH]c3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c23)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.39
▸ MET P08581 16/20 0.37
▸ AXL P30530 12/20 0.36
▸ MERTK Q12866 12/20 0.36
▸ TYRO3 Q06418 8/20 0.36
▸ KDR P35968 2/20 0.35
▸ RET P07949 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL3104399 0.89 MET (0.40) METAXLMERTKTYRO3KDR
SCHEMBL3107510 0.86 MET (0.41) METAXLMERTKTYRO3KDR
SCHEMBL3112020 0.84 MET (0.36) METAXLMERTKTYRO3KDR
SCHEMBL3112723 0.84 AXL (0.37) METAXLMERTKTYRO3KDR
SCHEMBL3114517 0.83 AXL (0.40) METAXLMERTKTYRO3KDR
SCHEMBL3101845 0.83 MET (0.42) METAXLMERTKTYRO3KDR
SCHEMBL3107657 0.83 AXL (0.39) METAXLMERTKTYRO3
SCHEMBL3101351 0.83 MAPK1 (0.38) METAXLMERTKTYRO3
SCHEMBL13101869 0.82 MET (0.54) METAXLMERTKKDRRET
SCHEMBL2280464 0.82 MET (0.45) METAXLMERTKKDRKIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US claimed
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 LRRK2 914/4885MET 357/4885AXL 117/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 LRRK2 914/4885MET 357/4885AXL 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.

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