SCHEMBL3117756

SCHEMBL3117756

CN(c1ncc(-c2ccc(O)c(F)c2)c(=O)n1C)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
MIF P14174 5/20 0.37
AR P10275 1/20 0.37
HSD17B1 P14061 1/20 0.36
JAK1 P23458 1/20 0.35
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ABL1 P00519 1/20 0.33
ESR2 Q92731 2/20 0.33
RPS6KA3 P51812 1/20 0.33
COMT P21964 1/20 0.33
MET P08581 1/20 0.33
ALK Q9UM73 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL3912607 0.80 MIF (0.37) MIFARESR2COMTMET
SCHEMBL2861659 0.74 ALDH1A1 (0.39) MIFARHSD17B1FGFR1FGFR2
SCHEMBL3111973 0.74 MIF (0.38) MIFHSD17B1JAK1ESR2MET
SCHEMBL3117761 0.74 MET (0.39) KDM1AMIFJAK1ALOX5APFEN1
SCHEMBL3915728 0.70 MET (0.42) MIFFEN1COMTMET
SCHEMBL2288757 0.70 MET (0.58) FGFR2MET
SCHEMBL2855704 0.70 MET (0.58) ARFGFR1FGFR2ABL1RPS6KA3
SCHEMBL2379712 0.70 MET (0.58) MIFMET
SCHEMBL2280129 0.67 GAA (0.53) FGFR1MET
SCHEMBL2280405 0.62 MIF (0.37) MIFHSD17B1ALOX5APFEN1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
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-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO 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 (3 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 KDM1A 4831/4885MIF 2408/4885AR 1135/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KDM1A 4831/4885MIF 2408/4885AR 1135/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 KDM1A 3070/4885MIF 3684/4885AR 1910/4885

“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.