SCHEMBL3114517

SCHEMBL3114517

COCCNC(=O)c1ccc(-c2n[nH]c3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 17/20 0.40
▸ MERTK Q12866 17/20 0.40
▸ MET P08581 16/20 0.40
▸ TYRO3 Q06418 13/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL3107657 0.93 AXL (0.39) AXLMERTKMETTYRO3
SCHEMBL3101351 0.93 MAPK1 (0.38) AXLMERTKMETTYRO3MAPK1
SCHEMBL3107510 0.89 MET (0.41) AXLMERTKMETTYRO3KDR
SCHEMBL3112723 0.89 AXL (0.37) AXLMERTKMETTYRO3KDR
SCHEMBL3112020 0.87 MET (0.36) AXLMERTKMETTYRO3KDR
SCHEMBL3104399 0.86 MET (0.40) AXLMERTKMETTYRO3KDR
SCHEMBL3106676 0.84 BRD4 (0.39) AXLMERTKMETTYRO3
SCHEMBL3109748 0.83 LRRK2 (0.39) AXLMERTKMETTYRO3KDR
SCHEMBL13101891 0.83 MET (0.55) AXLMERTKMETTYRO3KDR
SCHEMBL3107037 0.83 LRRK2 (0.41) AXLMERTKMETTYRO3KDR

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 6 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
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 117/4885MERTK 285/4885MET 357/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 AXL 117/4885MERTK 285/4885MET 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.

Send feedback