SCHEMBL4201126

SCHEMBL4201126

Oc1cc(O)cc(CNc2cncc(-c3cccc(O)c3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.71
CYP3A4 P08684 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
HIF1A Q16665 1/20 0.40
HSD17B1 P14061 5/20 0.40
HSD17B2 P37059 4/20 0.40
CYP2C9 P11712 1/20 0.40
SLC2A4 P14672 1/20 0.39
KDR P35968 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
DYRK1A Q13627 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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 0.93 FYN (0.73) FYNCYP3A4CYP11B2CYP17A1CYP19A1
SCHEMBL4191787 0.89 FYN (0.71) FYNCYP3A4CYP11B2CYP17A1CYP19A1
SCHEMBL4146617 0.86 FYN (0.64) FYNCYP3A4CYP11B2HIF1ASLC2A4
SCHEMBL4187374 0.85 FYN (0.67) FYNCYP3A4CYP2C9DYRK1ACLK1
SCHEMBL4194129 0.85 FYN (0.67) FYNCYP3A4CYP11B2CYP17A1CYP19A1
SCHEMBL4185311 0.85 FYN (0.63) FYNCYP3A4HIF1ASLC2A4KDR
SCHEMBL4191627 0.84 FYN (0.65) FYNCYP3A4CYP11B2HIF1ASLC2A4
SCHEMBL4155633 0.84 FYN (0.62) FYNCYP3A4CYP11B2HIF1ASLC2A4
SCHEMBL4156602 0.84 FYN (0.51) FYNCYP11B2HSD17B1KDRKCNH2
SCHEMBL4140030 0.84 FYN (0.53) FYNCYP11B2KDRCCNT1CDK9

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 7 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

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 3292/4885CYP3A4 257/4885CYP11B2 149/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885CYP3A4 257/4885CYP11B2 149/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885CYP3A4 257/4885CYP11B2 149/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885CYP3A4 328/4885CYP11B2 280/4885

“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.