SCHEMBL4194432

SCHEMBL4194432

NC(=O)c1cccc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.49
CSNK2A1 P68400 1/20 0.48
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
PRKCA P17252 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
BLM P54132 1/20 0.46
CDK5 Q00535 1/20 0.46

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
SCHEMBL4183087 0.84 ABL1 (0.51) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL4190144 0.83 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1CSNK2A1
SCHEMBL4187491 0.83 XDH (0.57) CSNK2A1ABL1EGFRCDK5SYK
SCHEMBL4187527 0.83 SMN1; SMN2 (0.66) MEN1KMT2AMAPTALDH1A1ABL1
SCHEMBL4164153 0.82 PARP1 (0.49) CSNK2A1ABL1EGFRCDK5SYK
SCHEMBL4154769 0.81 PARP1 (0.50) MEN1KMT2ANPC1CSNK2A1ABL1
SCHEMBL4191929 0.81 XDH (0.61) MEN1KMT2AALDH1A1CSNK2A1SYK
SCHEMBL4187385 0.81 ABL1 (0.65) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4194279 0.80 KDR (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4190280 0.80 ABL1 (0.49) TSHRMEN1KMT2AMAPTALDH1A1

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 TSHR 4103/4885MEN1 2363/4885KMT2A 2107/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TSHR 4103/4885MEN1 2363/4885KMT2A 2107/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TSHR 4103/4885MEN1 2363/4885KMT2A 2107/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA TSHR 2669/4885MEN1 826/4885KMT2A 3342/4885

“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.