SCHEMBL4192001

SCHEMBL4192001

COc1cncc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
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
LMNA P02545 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL4192324 0.85 ABCG2 (0.58) ABCG2MEN1KMT2AMAPTMAPK1
SCHEMBL4148401 0.83 ABL1 (0.58) ABCG2MEN1KMT2AMAPTABL1
SCHEMBL4187385 0.81 ABL1 (0.65) ABCG2MEN1KMT2AMAPTABL1
SCHEMBL4190280 0.81 ABL1 (0.49) ABCG2MEN1KMT2AMAPTHTT
SCHEMBL4183087 0.80 ABL1 (0.51) ABCG2MEN1KMT2AMAPTHTT
SCHEMBL5468622 0.79 AKR1C3 (0.64) ABCG2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL4187527 0.79 SMN1; SMN2 (0.66) ABCG2MEN1KMT2AMAPTHTT
SCHEMBL4193397 0.79 PIP4K2A (0.54) ABCG2MEN1KMT2AABL1EGFR
SCHEMBL4182381 0.79 EGFR (0.45) ABCG2EGFRBRAF
SCHEMBL4189371 0.79 TDP2 (0.53) ABCG2MEN1KMT2AMAPTABL1

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 ABCG2 1286/4885AKR1C3 2059/4885AKR1C2 2701/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABCG2 1286/4885AKR1C3 2059/4885AKR1C2 2701/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABCG2 1286/4885AKR1C3 2059/4885AKR1C2 2701/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ABCG2 1804/4885AKR1C3 1478/4885AKR1C2 1745/4885

“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.