SCHEMBL4199443

SCHEMBL4199443

COc1ncc(-c2cncc(NCc3ccoc3)c2)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.51
KCNH2 Q12809 1/20 0.42
BRAF P15056 1/20 0.40
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
DYRK1A Q13627 5/20 0.37
CLK1 P49759 4/20 0.37
CLK4 Q9HAZ1 2/20 0.37
HPGD P15428 1/20 0.36
ALPL P05186 3/20 0.36
CTSL P07711 1/20 0.35
P2RX3 P56373 1/20 0.34
PIM1 P11309 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
EED O75530 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4196611 0.80 KCNH2 (0.46) FYNKCNH2QPCTQPCTLDYRK1A
SCHEMBL4187702 0.78 FYN (0.62) FYNKCNH2BRAFDYRK1ACLK1
SCHEMBL4192291 0.76 FYN (0.57) FYNKCNH2BRAFDYRK1ACLK4
SCHEMBL4187573 0.75 FYN (0.61) FYNKCNH2BRAFDYRK1ACLK4
SCHEMBL4199542 0.73 PDPK1 (0.45) FYNKCNH2BRAFQPCTQPCTL
SCHEMBL4199439 0.72 QPCT (0.40) FYNQPCTQPCTLHPGDP2RX3
SCHEMBL4139536 0.72 FYN (0.67) FYNKCNH2BRAFDYRK1ACLK4
SCHEMBL4192123 0.72 FYN (0.67) FYNKCNH2BRAFDYRK1ACLK1
SCHEMBL4191805 0.70 SIRT2 (0.44) QPCTQPCTLHPGDALPLPTGES2
SCHEMBL4189245 0.70 ALDH1A1 (0.47) FYNQPCTQPCTLPTGES2ALDH1A1

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 FYN 3292/4885KCNH2 3526/4885BRAF 3225/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885KCNH2 3526/4885BRAF 3225/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885KCNH2 3526/4885BRAF 3225/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885KCNH2 763/4885BRAF 1471/4885

“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.