SCHEMBL3095640

SCHEMBL3095640

COc1ccc(Cn2nc(C)c3c(Oc4ccc(-c5cnc(NCC6CC6)n(C)c5=O)cc4F)ccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.45
MST1R Q04912 4/20 0.44
KDR P35968 2/20 0.44
HGF P14210 3/20 0.41
JAK2 O60674 1/20 0.40
EGFR P00533 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR2 P21802 1/20 0.40
RPS6KB1 P23443 1/20 0.40
FLT4 P35916 1/20 0.40
TEK Q02763 1/20 0.40
BTK Q06187 1/20 0.40
KDM1A O60341 4/20 0.38

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
SCHEMBL3109429 0.87 MET (0.60) METMST1RKDRHGFJAK2
SCHEMBL3112398 0.87 MET (0.60) METMST1RKDRHGFJAK2
SCHEMBL3095637 0.85 MET (0.41) METMST1RKDRHGFEGFR
SCHEMBL3106815 0.80 MET (0.59) METMST1RKDRHGFJAK2
SCHEMBL3101365 0.79 MET (0.46) METMST1RKDRHGFJAK2
SCHEMBL3114487 0.79 MET (0.45) METMST1RKDRHGFEGFR
SCHEMBL3109858 0.79 MET (0.58) METMST1RKDRHGFJAK2
SCHEMBL3105978 0.78 NR3C1 (0.41) METMST1RKDRHGF
SCHEMBL2859145 0.77 MET (0.72) METMST1RKDRHGFJAK2
SCHEMBL15404563 0.76 MET (0.55) METMST1RKDRHGFJAK2

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 MET 357/4885MST1R 642/4885KDR 807/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885MST1R 642/4885KDR 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.