SCHEMBL4189356

SCHEMBL4189356

CN(C)CCNC(=O)c1ccc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
CDC7 O00311 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
BRAF P15056 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 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 0.92 KDR (0.49) KDRSMN1; SMN2ATMKDM4ENPC1
SCHEMBL4190056 0.81 ALOX5 (0.55) KDRCDC7CDK19BRAFKDM4E
SCHEMBL4190144 0.80 ALDH1A1 (0.47) SMN1; SMN2BRAFMEN1KMT2AALDH1A1
SCHEMBL4189128 0.79 BRAF (0.55) KDRSMN1; SMN2BRAFTMEM97SIGMAR1
SCHEMBL4190280 0.78 ABL1 (0.49) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4182142 0.77 XDH (0.54) KDRCDC7CDK19SMN1; SMN2BRAF
SCHEMBL4189340 0.77 ABL1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2748233 0.76 ALDH1A1 (0.67) SMN1; SMN2TMEM97SIGMAR1ATMMEN1
SCHEMBL4148401 0.75 ABL1 (0.58) SMN1; SMN2KDM4ENPC1ROCK1MEN1
SCHEMBL4187527 0.74 SMN1; SMN2 (0.66) SMN1; SMN2BRAFMEN1KMT2AALDH1A1

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 KDR 4228/4885CDC7 77/4885CDK19 63/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDR 4228/4885CDC7 77/4885CDK19 63/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDR 4228/4885CDC7 77/4885CDK19 63/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA KDR 3935/4885CDC7 2395/4885CDK19 1258/4885

“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.