SCHEMBL4187735

SCHEMBL4187735

COc1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.58
XDH P47989 3/20 0.54
SLC22A12 Q96S37 3/20 0.54
ALPL P05186 2/20 0.52
MEN1 O00255 1/20 0.50
PABPC1 P11940 1/20 0.50
KMT2A Q03164 1/20 0.50
TDO2 P48775 5/20 0.48
CD38 P28907 1/20 0.43
APP P05067 1/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 2/20 0.42
AURKA O14965 1/20 0.42
INSR P06213 1/20 0.42
FBP1 P09467 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
CLK1 P49759 1/20 0.42
EPHB4 P54760 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
SCHEMBL4187498 0.87 ALPL (0.59) TDP2XDHSLC22A12ALPLMEN1
SCHEMBL4189069 0.83 TDP2 (0.62) TDP2XDHSLC22A12MEN1KMT2A
SCHEMBL4194341 0.79 ALPL (0.51) XDHSLC22A12ALPLMEN1KMT2A
SCHEMBL4194486 0.79 TDP2 (0.70) TDP2XDHSLC22A12MEN1KMT2A
SCHEMBL4185259 0.78 XDH (0.67) TDP2XDHSLC22A12MEN1KMT2A
SCHEMBL4192330 0.78 TDP2 (0.56) TDP2XDHSLC22A12ALPLMEN1
SCHEMBL4191826 0.77 TDP2 (0.61) TDP2XDHSLC22A12TDO2APP
SCHEMBL4193364 0.76 TDP2 (0.52) TDP2XDHSLC22A12MEN1PABPC1
SCHEMBL30301808 0.76 RAF1 (0.71) CD38EGFRERBB2AURKAINSR
SCHEMBL17845942 0.76 RAF1 (0.71) CD38EGFRERBB2AURKAINSR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US 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

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 1940/4885XDH 1630/4885SLC22A12 3973/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TDP2 1940/4885XDH 1630/4885SLC22A12 3973/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TDP2 1940/4885XDH 1630/4885SLC22A12 3973/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA TDP2 135/4885XDH 527/4885SLC22A12 2928/4885

“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.