SCHEMBL878889

SCHEMBL878889

O=C(c1ccc(NCc2cccs2)nc1)c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CLK4 Q9HAZ1 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
CSF1R P07333 1/20 0.43
KIT P10721 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAP2K1 Q02750 2/20 0.42

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
SCHEMBL1267898 0.83 ADORA2A (0.55) CLK4MAPK1CSF1RKITMAP2K1
SCHEMBL12646995 0.81 CSF1R (0.52) CLK4ALDH1A1CSF1RKITMAP2K1
SCHEMBL878912 0.81 CSF1R (0.52) ALDH1A1CSF1RKITMAP2K1KDR
SCHEMBL878837 0.80 CSF1R (0.68) HDAC3HDAC1HDAC2HDAC6CLK4
SCHEMBL4531204 0.80 CDC7 (0.48) CYP3A4CYP2C19CSF1RKITMAP2K1
SCHEMBL858185 0.79 HCAR3 (0.54) CLK4CSF1RKITMAP2K1KDR
SCHEMBL1268072 0.78 CLK1 (0.50) CLK4MAPK1CSF1RKITKDM4C
SCHEMBL857120 0.78 CSF1R (0.68) CLK4CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL878793 0.78 PIM1 (0.45) CLK4CYP2D6CYP2C19CYP2C9MAP2K1
SCHEMBL15987202 0.77 KIT (0.55) CYP3A4CYP2C19CYP2C9CSF1RKIT

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2019-08-29 US disclosed
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2019-08-29 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 US disclosed
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 US disclosed
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 US disclosed
US-9487515-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2016-11-08 US disclosed
US-9487515-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2016-11-08 US disclosed
US-9487515-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2016-11-08 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
EP-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
EP-1755597-A2 AZAINDOLES MODULATING C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2007-02-28 EP disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 WO disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
US-20060058340-A1 Compounds modulating c-kit activity PLEXXIKON INC. 2006-03-16 US disclosed
WO-2006009755-A2 AZAINDOLES MODULATING C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2006-01-26 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 (6 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-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 HDAC3 3556/4885HDAC1 2741/4885HDAC2 3314/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HDAC3 1716/4885HDAC1 850/4885HDAC2 1044/4885
US-20060058340-A1 Compounds modulating c-kit activity KIT, CDC7, CDK7 HDAC3 2541/4885HDAC1 1353/4885HDAC2 2433/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HDAC3 1716/4885HDAC1 850/4885HDAC2 1044/4885
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 HDAC3 3465/4885HDAC1 2551/4885HDAC2 3190/4885
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor KIT, FLT3, FLT1 HDAC3 3599/4885HDAC1 2728/4885HDAC2 3374/4885

“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.