SCHEMBL4187618

SCHEMBL4187618

CC(=O)Nc1cccc(-c2cncc(NCc3ccc4c(c3)OCO4)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.73
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
FYN P06241 3/20 0.49
AURKA O14965 1/20 0.48
MEN1 O00255 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4182276 0.84 FYN (0.62) BRAFFYNAURKAHSD17B10
SCHEMBL4194265 0.84 AURKA (0.56) BRAFKMT2AFYNAURKAMEN1
SCHEMBL4192356 0.84 BRAF (0.53) BRAFKMT2ARAB9AAURKAMEN1
SCHEMBL4185440 0.81 BRAF (0.60) BRAFFYN
SCHEMBL4182251 0.81 BRAF (0.57) BRAFFYN
SCHEMBL4193228 0.81 FYN (0.59) BRAFFYN
SCHEMBL4194427 0.81 BRAF (0.56) BRAFNPC1FYN
SCHEMBL4199417 0.80 BRAF (0.61) BRAFKMT2ARAB9AFYNMEN1
SCHEMBL4191781 0.79 BRAF (0.71) BRAFFYN
SCHEMBL4199234 0.79 FYN (0.54) BRAFKMT2AFYNMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 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 (4 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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 BRAF 3225/4885KMT2A 2107/4885NPC1 883/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885KMT2A 2107/4885NPC1 883/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRAF 3225/4885KMT2A 2107/4885NPC1 883/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA BRAF 1471/4885KMT2A 3342/4885NPC1 2708/4885

“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.