SCHEMBL4187385

SCHEMBL4187385

O=[N+]([O-])c1cccc(Nc2cncc(-c3cccnc3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
PRKCA P17252 2/20 0.65
EGFR P00533 1/20 0.65
SRC P12931 1/20 0.65
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ABCG2 Q9UNQ0 5/20 0.58
CHRNB2 P17787 1/20 0.53
CHRNA5 P30532 1/20 0.53
CHRNA4 P43681 1/20 0.53
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4148401 0.88 ABL1 (0.58) ABL1BCRPRKCAEGFRSRC
SCHEMBL12412918 0.88 KMT2A (0.70) ABL1BCRPRKCAEGFRSRC
SCHEMBL4183087 0.85 ABL1 (0.51) ABL1BCRPRKCAEGFRSRC
SCHEMBL4190280 0.84 ABL1 (0.49) ABL1BCRPRKCAEGFRSRC
SCHEMBL4193397 0.82 PIP4K2A (0.54) ABL1BCRPRKCAEGFRSRC
SCHEMBL4187527 0.82 SMN1; SMN2 (0.66) ABL1BCRPRKCAEGFRSRC
SCHEMBL4189371 0.81 TDP2 (0.53) ABL1BCRPRKCAEGFRSRC
SCHEMBL4192001 0.81 ABCG2 (0.51) ABL1BCRPRKCAEGFRSRC
SCHEMBL4194432 0.81 TSHR (0.54) ABL1BCRPRKCAEGFRSRC
SCHEMBL4276994 0.81 ALDH1A1 (0.48) ABL1BCRPRKCAEGFRSRC

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 ABL1 1085/4885BCR 4304/4885PRKCA 1898/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABL1 1085/4885BCR 4304/4885PRKCA 1898/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ABL1 1085/4885BCR 4304/4885PRKCA 1898/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ABL1 2775/4885BCR 4551/4885PRKCA 3884/4885

“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.