SCHEMBL4153750

SCHEMBL4153750

O=C(NCCO)c1cccc(-c2cncc(NCc3cccc(O)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.53
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
CDK7 P50613 1/20 0.44
PPARG P37231 1/20 0.44
PTAFR P25105 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
MAP4K4 O95819 2/20 0.42
CHRM3 P20309 1/20 0.42
GRK2 P25098 1/20 0.42
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
ROS1 P08922 1/20 0.41
FER P16591 1/20 0.41

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
SCHEMBL4193181 0.88 FYN (0.49) FYNROCK2ROCK1MAP4K4KDR
SCHEMBL4188883 0.88 HDAC2 (0.50) ROCK2CDK7PTAFR
SCHEMBL4180476 0.85 FYN (0.58) FYNPPARGHIF1A
SCHEMBL4194062 0.84 FYN (0.64) FYNROCK2CDK7MAP4K4GRK2
SCHEMBL4143243 0.84 FYN (0.57) FYNROCK2ROCK1CDK7CCNT1
SCHEMBL4187443 0.82 FYN (0.55) FYNAXLHIF1A
SCHEMBL4160677 0.82 FYN (0.73) FYNROCK2ROCK1CCNT1CDK9
SCHEMBL4191696 0.81 FYN (0.61) FYNHIF1A
SCHEMBL4185311 0.80 FYN (0.63) FYNCCNT1CDK9KDRHIF1A
SCHEMBL4190030 0.80 FYN (0.60) FYNROCK2ROCK1CDK7CCNT1

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 10 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
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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 (5 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT FYN 114/4885ROCK2 2/4885ROCK1 1/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 FYN 3292/4885ROCK2 1231/4885ROCK1 1014/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885ROCK2 1231/4885ROCK1 1014/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885ROCK2 1231/4885ROCK1 1014/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885ROCK2 2961/4885ROCK1 2491/4885

“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.