SCHEMBL4199347

SCHEMBL4199347

N#Cc1ccc(Nc2cncc(-c3ccsc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.58
CYP2A6 P11509 5/20 0.53
LRRK2 Q5S007 1/20 0.41
ALPL P05186 4/20 0.40
CHEK2 O96017 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADORA2A P29274 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB1 P08183 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
SCN9A Q15858 1/20 0.37
VCP P55072 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL4187553 0.81 LRRK2 (0.43) LRRK2ALPLABCB1ABCG2SCN9A
SCHEMBL2989441 0.79 CYP2A6 (0.71) TDP2CYP2A6CHEK2KDRCYP3A4
SCHEMBL4185063 0.76 ALPL (0.52) LRRK2ALPLCYP3A4CYP2C9ABCG2
SCHEMBL4183096 0.75 ABCG2 (0.52) ADORA2AABCB1ABCG2
SCHEMBL4187483 0.73 ALPL (0.49) ALPLKCNH2SCN10A
SCHEMBL14031014 0.72 SCN10A (0.45) CYP2A6LRRK2KDRALDH1A1CYP3A4
SCHEMBL4194370 0.72 BRAF (0.58) TDP2CYP2A6ALPL
SCHEMBL6013341 0.72 CYP2A6 (0.52) CYP2A6ALDH1A1CYP2B6KCNH2
SCHEMBL4196393 0.72 CYP11B1 (0.47) ABCB1ABCG2
SCHEMBL4196481 0.72 ALPL (0.47) LRRK2ALPLCYP2C9CYP2C19KCNH2

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 7 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

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 TDP2 1940/4885CYP2A6 1880/4885LRRK2 1497/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TDP2 1940/4885CYP2A6 1880/4885LRRK2 1497/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TDP2 1940/4885CYP2A6 1880/4885LRRK2 1497/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA TDP2 135/4885CYP2A6 1615/4885LRRK2 549/4885

“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.