SCHEMBL4190144

SCHEMBL4190144

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKCA P17252 1/20 0.43
BRAF P15056 1/20 0.42
FYN P06241 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL4194279 0.89 KDR (0.49) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4180458 0.85 XDH (0.51) ABL1BCRBRAFFYN
SCHEMBL4199338 0.84 KDR (0.57) ALDH1A1MEN1KMT2AEGFRBRAF
SCHEMBL4187667 0.84 L3MBTL1 (0.46) LMNAL3MBTL1ABL1EGFRBCR
SCHEMBL4194432 0.83 TSHR (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4187560 0.81 SIRT2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AABL1
SCHEMBL4189356 0.80 KDR (0.48) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4183087 0.79 ABL1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4187527 0.78 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4183159 0.78 FYN (0.55) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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
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 ALDH1A1 2624/4885HPGD 927/4885SMN1; SMN2 3575/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALDH1A1 2624/4885HPGD 927/4885SMN1; SMN2 3575/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALDH1A1 2624/4885HPGD 927/4885SMN1; SMN2 3575/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ALDH1A1 1221/4885HPGD 1452/4885SMN1; SMN2 264/4885

“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.