SCHEMBL4180572

SCHEMBL4180572

c1cncc(CNc2cncc(-c3cccnc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
PABPC1 P11940 1/20 0.56
CYP1A2 P05177 8/20 0.55
CYP3A4 P08684 7/20 0.55
CYP2D6 P10635 6/20 0.55
CYP2C19 P33261 6/20 0.55
CYP2C9 P11712 4/20 0.55
CLK4 Q9HAZ1 2/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL4187374 0.88 FYN (0.67) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL4199084 0.86 FYN (0.61) LTA4HALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4190213 0.85 BACE1 (0.55) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL4201069 0.85 CYP3A4 (0.54) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL4194118 0.83 FYN (0.72) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL4193176 0.83 DYRK1A (0.60) ALDH1A1MEN1KMT2AMAPTCLK4
SCHEMBL4187591 0.83 MEN1 (0.59) LTA4HMEN1KMT2AMAPTPABPC1
SCHEMBL4143026 0.83 MKNK1 (0.50) LTA4HALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13743125 0.82 KCNH2 (0.56) LTA4HALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4199106 0.82 JAK2 (0.53) LTA4HALDH1A1MEN1KMT2AMAPT

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 6 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

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 LTA4H 3086/4885ALDH1A1 2624/4885MEN1 2363/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LTA4H 3086/4885ALDH1A1 2624/4885MEN1 2363/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LTA4H 3086/4885ALDH1A1 2624/4885MEN1 2363/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA LTA4H 3098/4885ALDH1A1 1221/4885MEN1 826/4885

“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.