SCHEMBL4199243

SCHEMBL4199243

COc1ccc(-c2cncc(NCc3ccc(F)c(F)c3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.49
KCNH2 Q12809 1/20 0.47
CLK1 P49759 2/20 0.41
DYRK1A Q13627 2/20 0.41
ERN1 O75460 1/20 0.41
PDE4B Q07343 1/20 0.41
CYP3A4 P08684 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
FYN P06241 2/20 0.39
RPS6KA3 P51812 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
PDGFRB P09619 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
SCHEMBL4182323 0.83 CLK1 (0.54) KCNH2CLK1DYRK1APDE4BCYP3A4
SCHEMBL4180512 0.83 KCNH2 (0.51) KCNH2DYRK1APDE4BMEN1MAPT
SCHEMBL4194457 0.81 HSD17B1 (0.55) ALPLKCNH2CLK1DYRK1ACYP3A4
SCHEMBL4192291 0.80 FYN (0.57) ALPLKCNH2DYRK1APIK3CDPIK3CA
SCHEMBL4193131 0.79 MEN1 (0.46) KCNH2CLK1DYRK1APDE4BFYN
SCHEMBL4187591 0.78 MEN1 (0.59) KCNH2CLK1DYRK1APDE4BFYN
SCHEMBL4140694 0.78 FYN (0.46) KCNH2FYNMEN1MAPTPABPC1
SCHEMBL4191983 0.78 MEN1 (0.43) KCNH2CLK1DYRK1AFYNMEN1
SCHEMBL4149001 0.78 MEN1 (0.48) KCNH2DYRK1APDE4BFYNMEN1
SCHEMBL4189080 0.74 TDP2 (0.55) ALPLKCNH2CYP3A4FYNMEN1

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 ALPL 1226/4885KCNH2 3526/4885CLK1 66/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALPL 1226/4885KCNH2 3526/4885CLK1 66/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALPL 1226/4885KCNH2 3526/4885CLK1 66/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ALPL 2140/4885KCNH2 763/4885CLK1 2529/4885

“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.