SCHEMBL4139536

SCHEMBL4139536

c1cc(-c2cncc(NCc3ccoc3)c2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.67
HPGD P15428 1/20 0.46
BRAF P15056 1/20 0.43
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
USP2 O75604 1/20 0.37
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL4147320 0.86 FYN (0.76) FYNHPGDBRAFCYP1A2CYP3A4
SCHEMBL4194118 0.86 FYN (0.72) FYNHPGDBRAFCYP1A2CYP3A4
SCHEMBL4192123 0.85 FYN (0.67) FYNHPGDBRAFCLK4KCNH2
SCHEMBL4196785 0.84 FYN (0.62) FYNHPGDBRAFCYP3A4CYP2C19
SCHEMBL4187702 0.82 FYN (0.62) FYNHPGDBRAFCYP1A2CYP3A4
SCHEMBL30521649 0.81 FYN (1.00) FYNHPGDBRAFCYP3A4CLK4
SCHEMBL4196870 0.81 FYN (1.00) FYNHPGDBRAFCYP3A4CLK4
SCHEMBL4192414 0.80 FYN (0.77) FYNHPGDBRAFCYP1A2CYP3A4
SCHEMBL4932096 0.80 KCNH2 (0.53) FYNCLK4KCNH2DYRK1ADYRK1B
SCHEMBL4187573 0.79 FYN (0.61) FYNHPGDBRAFALDH1A1CLK4

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 114/4885HPGD 879/4885BRAF 1261/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 FYN 3292/4885HPGD 927/4885BRAF 3225/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885HPGD 927/4885BRAF 3225/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885HPGD 927/4885BRAF 3225/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885HPGD 1452/4885BRAF 1471/4885

“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.