SCHEMBL4187527

SCHEMBL4187527

CC(=O)Nc1cccc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
BRAF P15056 3/20 0.60
FYN P06241 2/20 0.60
PIP4K2A P48426 2/20 0.57
PIP4K2B P78356 2/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ABCG2 Q9UNQ0 2/20 0.53
ABCB1 P08183 1/20 0.53
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.51
CTDSP1 Q9GZU7 2/20 0.51
DDX3X O00571 1/20 0.51
HTT P42858 1/20 0.51
CNR1 P21554 1/20 0.49
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
PRKCA P17252 1/20 0.48

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 0.85 ABL1 (0.51) SMN1; SMN2FYNKMT2AMEN1ABCG2
SCHEMBL4194432 0.83 TSHR (0.54) SMN1; SMN2KMT2AMEN1ABCG2POLB
SCHEMBL4191864 0.83 BRAF (0.70) SMN1; SMN2BRAFFYNPIP4K2APIP4K2B
SCHEMBL4187385 0.82 ABL1 (0.65) SMN1; SMN2KMT2AMEN1ABCG2POLB
SCHEMBL4193397 0.82 PIP4K2A (0.54) PIP4K2APIP4K2BKMT2AMEN1ABCG2
SCHEMBL1248559 0.81 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL4191746 0.81 BRAF (0.68) BRAFFYNPIP4K2APIP4K2BCNR1
SCHEMBL4190280 0.81 ABL1 (0.49) SMN1; SMN2PIP4K2APIP4K2BKMT2AMEN1
SCHEMBL4148401 0.81 ABL1 (0.58) SMN1; SMN2KMT2AMEN1ABCG2POLB
SCHEMBL4194542 0.79 BRAF (0.62) SMN1; SMN2BRAFFYNPIP4K2APIP4K2B

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 SMN1; SMN2 3575/4885BRAF 3225/4885FYN 3292/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SMN1; SMN2 3575/4885BRAF 3225/4885FYN 3292/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SMN1; SMN2 3575/4885BRAF 3225/4885FYN 3292/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA SMN1; SMN2 264/4885BRAF 1471/4885FYN 173/4885

“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.