SCHEMBL4187538

SCHEMBL4187538

COc1ccccc1-c1cncc(NCc2cccc(O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
FFAR1 O14842 2/20 0.53
FYN P06241 1/20 0.49
HTR7 P34969 1/20 0.49
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2D6 P10635 6/20 0.47
CYP2C19 P33261 5/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 1/20 0.46
PDE4B Q07343 3/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL4190046 0.90 KCNH2 (0.61) KCNH2FFAR1FYNCYP1A2CYP3A4
SCHEMBL4187479 0.84 FYN (0.54) KCNH2FYNCYP1A2CYP3A4HSD17B10
SCHEMBL4189975 0.84 FYN (0.55) KCNH2FYNTDP1EGFRPDE4B
SCHEMBL4154773 0.82 FYN (0.55) KCNH2FYNCYP1A2CYP3A4CYP2D6
SCHEMBL4194277 0.81 FYN (0.51) KCNH2FFAR1FYNCYP1A2CYP3A4
SCHEMBL4188983 0.81 FYN (0.58) KCNH2FYNCYP1A2CYP3A4CYP2D6
SCHEMBL4146617 0.80 FYN (0.64) KCNH2FFAR1FYNCYP1A2CYP3A4
SCHEMBL4196611 0.80 KCNH2 (0.46) KCNH2FYNEGFRPDE4BCLK1
SCHEMBL4187540 0.80 KCNH2 (0.64) KCNH2FFAR1HTR7CYP1A2CYP3A4
SCHEMBL4191922 0.79 FYN (0.51) KCNH2FYNCYP1A2CYP3A4TDP1

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
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 KCNH2 3526/4885FFAR1 4814/4885FYN 3292/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KCNH2 3526/4885FFAR1 4814/4885FYN 3292/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KCNH2 3526/4885FFAR1 4814/4885FYN 3292/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA KCNH2 763/4885FFAR1 4385/4885FYN 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.