SCHEMBL3101599

SCHEMBL3101599

Cc1n[nH]c2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3C#N)c12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.38
AXL P30530 8/20 0.38
KDR P35968 4/20 0.35
SLC22A12 Q96S37 7/20 0.35
MERTK Q12866 5/20 0.33
TYRO3 Q06418 2/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL3114395 0.90 MET (0.37) METAXLKDRMERTKTYRO3
SCHEMBL3101845 0.90 MET (0.42) METAXLKDRMERTKTYRO3
SCHEMBL3108895 0.86 AXL (0.40) METAXLKDRMERTKTYRO3
SCHEMBL3099850 0.84 AXL (0.33) METAXLKDRMERTKTYRO3
SCHEMBL3097595 0.84 MET (0.34) METAXLKDRMERTKTYRO3
SCHEMBL3113836 0.84 MET (0.34) METAXLKDRMERTKTYRO3
SCHEMBL3111368 0.83 AXL (0.36) METAXLKDRMERTKTYRO3
SCHEMBL3100072 0.83 AXL (0.40) METAXLKDRMERTKTYRO3
SCHEMBL3108923 0.83 AXL (0.40) METAXLKDRMERTKTYRO3
SCHEMBL3104646 0.82 AXL (0.35) METAXLKDRMERTKTYRO3

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 MET 357/4885AXL 117/4885KDR 807/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885AXL 117/4885KDR 807/4885

“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.