SCHEMBL4187553

SCHEMBL4187553

N#Cc1ccc(Nc2cncc(-c3cncnc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
CYP19A1 P11511 1/20 0.42
ABCG2 Q9UNQ0 7/20 0.42
ABCB1 P08183 3/20 0.42
SCN9A Q15858 1/20 0.41
ALPL P05186 3/20 0.40
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
XDH P47989 4/20 0.40
CYP11B2 P19099 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL8329412 0.85 CYP19A1 (0.52) LRRK2CYP19A1ABCG2ABCB1SCN9A
SCHEMBL4199347 0.81 TDP2 (0.58) LRRK2ABCG2ABCB1SCN9AALPL
SCHEMBL4185063 0.81 ALPL (0.52) LRRK2ABCG2SCN9AALPLXDH
SCHEMBL4183096 0.80 ABCG2 (0.52) ABCG2ABCB1XDHCYP11B2SLC22A12
SCHEMBL4187369 0.79 XDH (0.57) SCN9AALPLKCNH2XDHSLC22A12
SCHEMBL4187483 0.78 ALPL (0.49) ALPLKCNH2SCN10AXDHSLC22A12
SCHEMBL14031014 0.78 SCN10A (0.45) LRRK2ABCG2ABCB1SCN9AKCNH2
SCHEMBL4196481 0.77 ALPL (0.47) LRRK2ALPLKCNH2SCN10AXDH
SCHEMBL4196393 0.77 CYP11B1 (0.47) ABCG2ABCB1XDHCYP11B2SLC22A12
SCHEMBL4191838 0.76 BRAF (0.61) ABCG2KCNH2SCN10AXDHCYP11B2

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 LRRK2 1497/4885CYP19A1 770/4885ABCG2 1286/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LRRK2 1497/4885CYP19A1 770/4885ABCG2 1286/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LRRK2 1497/4885CYP19A1 770/4885ABCG2 1286/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA LRRK2 549/4885CYP19A1 1298/4885ABCG2 1804/4885

“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.