SCHEMBL4187397

SCHEMBL4187397

NC(c1cccnc1)c1cncc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.45
CHEK1 O14757 1/20 0.45
FYN P06241 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 1/20 0.41
RPS6KA3 P51812 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
PLOD1 Q02809 1/20 0.41
CYP17A1 P05093 1/20 0.41
PRKDC P78527 4/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL4199103 0.72 PTGS2 (0.52) MKNK1MKNK2LRRK2
SCHEMBL4187401 0.71 CYP1A2 (0.60) TP53SMN1; SMN2CLK1DYRK1ACYP1A2
SCHEMBL11992447 0.71 TGFBR1 (0.51) MAPK10CHEK1FYNTP53AOC3
SCHEMBL3378512 0.71 MAPT (0.52) MAPK10CHEK1FYNSMN1; SMN2AOC3
SCHEMBL22113884 0.70 DYRK1A (0.51) MAPK10CHEK1TP53SMN1; SMN2RPS6KA3
SCHEMBL886335 0.70 KCNA5 (0.67) TP53SMN1; SMN2RPS6KA3RPS6KA2RPS6KA1
SCHEMBL256566 0.70 CHRNB2 (0.59) TP53SMN1; SMN2PLOD2PLOD3PLOD1
SCHEMBL29442130 0.70 CHRNB2 (0.59) TP53SMN1; SMN2PLOD2PLOD3PLOD1
SCHEMBL31181683 0.69 LRRK2 (0.54) MAPK10CHEK1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL2062367 0.69 KCNA5 (0.55) TP53SMN1; SMN2PLOD2PLOD3PLOD1

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 MAPK10 1100/4885CHEK1 174/4885FYN 3292/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPK10 1100/4885CHEK1 174/4885FYN 3292/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPK10 1100/4885CHEK1 174/4885FYN 3292/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA MAPK10 907/4885CHEK1 1773/4885FYN 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.