SCHEMBL3111973

SCHEMBL3111973

Cn1c(CC2CCCCC2)ncc(-c2ccc(O)c(F)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MET P08581 3/20 0.37
HGF P14210 1/20 0.37
MST1R Q04912 1/20 0.37
HSD17B1 P14061 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BRS3 P32247 1/20 0.36
HSP90AA1 P07900 3/20 0.35
HSD11B1 P28845 1/20 0.35
RPS6KA6 Q9UK32 1/20 0.35
JAK1 P23458 1/20 0.34
PTPN1 P18031 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL3111161 0.81 MET (0.49) METHGFMST1R
SCHEMBL2379712 0.77 MET (0.58) MIFMETHGFMST1R
SCHEMBL3117761 0.77 MET (0.39) MIFMETMST1RJAK1
SCHEMBL3117756 0.74 KDM1A (0.40) MIFESR1ESR2METHSD17B1
SCHEMBL2861659 0.72 ALDH1A1 (0.39) MIFESR1ESR2HSD17B1
SCHEMBL3114423 0.70 DRD1 (0.38)
SCHEMBL12536543 0.69 DRD1 (0.38)
SCHEMBL2855704 0.68 MET (0.58) METHGFMST1R
SCHEMBL3915728 0.68 MET (0.42) MIFMETHGFMST1R
SCHEMBL2288757 0.68 MET (0.58) METHGFMST1R

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 MIF 2408/4885ESR1 2374/4885ESR2 1338/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MIF 2408/4885ESR1 2374/4885ESR2 1338/4885

“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.