SCHEMBL4186776

SCHEMBL4186776

Oc1cccc(CCNc2cncc(-c3cccc(O)c3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.59
HTR7 P34969 2/20 0.45
PTAFR P25105 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDR P35968 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
BRAF P15056 1/20 0.40
PIK3CA P42336 2/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
SPR P35270 1/20 0.39
STAT6 P42226 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.39

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
SCHEMBL4160677 0.86 FYN (0.73) FYNKDRCYP3A4CYP17A1CYP19A1
SCHEMBL4191787 0.82 FYN (0.71) FYNKDRCYP3A4CYP17A1CYP19A1
SCHEMBL4201126 0.82 FYN (0.71) FYNKDRCYP3A4CYP17A1CYP19A1
SCHEMBL4650070 0.80 HTR7 (0.58) FYNHTR7KDRBRAFNPC1
SCHEMBL4146617 0.80 FYN (0.64) FYNKDRCYP3A4CYP11B2SLC2A4
SCHEMBL4185311 0.79 FYN (0.63) FYNKDRCYP3A4SLC2A4KDM4E
SCHEMBL4187374 0.79 FYN (0.67) FYNPTAFRCYP3A4PIK3CACYP2C9
SCHEMBL4155633 0.78 FYN (0.62) FYNKDRCYP3A4CYP11B2PIK3CA
SCHEMBL4191627 0.78 FYN (0.65) FYNKDRCYP3A4CYP11B2SLC2A4
SCHEMBL4199084 0.77 FYN (0.61) FYNCYP3A4CYP19A1CYP11B1CYP11B2

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 13 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-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 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
EP-1748998-A1 A NOVEL STEREOSELECTIVE SYNTHESIS OF BENZIMIDAZOLE SULFOXIDES Hetero Drugs Limited (IN) 2007-02-07 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO disclosed
WO-2005116011-A1 A NOVEL STEREOSELECTIVE SYNTHESIS OF BENZIMIDAZOLE SULFOXIDES HETERO DRUGS LIMITED (IN) 2005-12-08 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 FYN 3292/4885HTR7 352/4885PTAFR 3438/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885HTR7 352/4885PTAFR 3438/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885HTR7 352/4885PTAFR 3438/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885HTR7 354/4885PTAFR 1165/4885

“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.