SCHEMBL4189083

SCHEMBL4189083

Brc1cccc(Nc2cncc(-c3cccnc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KIF11 P52732 1/20 0.46
EGFR P00533 4/20 0.45
FLT3 P36888 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
CYP19A1 P11511 1/20 0.44
SYK P43405 1/20 0.43
CNR1 P21554 1/20 0.42
KDR P35968 1/20 0.42
PSIP1 O75475 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
SCHEMBL4159902 0.87 NPC1 (0.49) MEN1KMT2ANPC1PKMEGFR
SCHEMBL4187426 0.82 ABL1 (0.60) MEN1KMT2AKIF11EGFRALDH1A1
SCHEMBL4182381 0.79 EGFR (0.45) CYP11B1CYP11B2EGFRALDH1A1CYP1A2
SCHEMBL4199200 0.78 PIP4K2A (0.44) MEN1KMT2ANPC1PKMEGFR
SCHEMBL4184911 0.78 EGFR (0.47) MEN1KMT2ANPC1PKMEGFR
SCHEMBL29666524 0.78 CYP1A2 (0.56) MEN1KMT2ANPC1CYP11B1CYP11B2
SCHEMBL14704101 0.78 CYP1A2 (0.56) MEN1KMT2ANPC1CYP11B1CYP11B2
SCHEMBL4154769 0.78 PARP1 (0.50) MEN1KMT2ANPC1PKMCYP11B2
SCHEMBL4198986 0.78 EGFR (0.46) MEN1KMT2ANPC1PKMEGFR
SCHEMBL1065165 0.77 CYP11B1 (0.68) MEN1KMT2ANPC1PKMCYP11B1

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 MEN1 2363/4885KMT2A 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 MEN1 2363/4885KMT2A 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 MEN1 2363/4885KMT2A 2107/4885NPC1 883/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA MEN1 826/4885KMT2A 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.