SCHEMBL4195748

SCHEMBL4195748

COc1cncc(-c2cncc(Nc3ccc(Cl)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
XDH P47989 2/20 0.51
SLC22A12 Q96S37 2/20 0.51
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP17A1 P05093 2/20 0.47
ALPL P05186 3/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CNR1 P21554 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
TDP2 O95551 1/20 0.43
GSK3B P49841 1/20 0.43
PIK3CA P42336 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
SCHEMBL4191925 0.89 XDH (0.61) XDHSLC22A12CYP11B1CYP11B2CYP3A4
SCHEMBL4189069 0.85 TDP2 (0.62) XDHSLC22A12CYP11B1CYP11B2CYP3A4
SCHEMBL4185063 0.82 ALPL (0.52) SCN9AXDHSLC22A12CYP11B1CYP11B2
SCHEMBL4196517 0.81 DYRK1A (0.54) KCNH2CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL4187498 0.81 ALPL (0.59) KCNH2SCN5ASCN9AXDHSLC22A12
SCHEMBL4196858 0.81 XDH (0.50) KCNH2SCN5ASCN9AXDHSLC22A12
SCHEMBL4187369 0.80 XDH (0.57) KCNH2SCN5ASCN9AXDHSLC22A12
SCHEMBL4189057 0.79 ALPL (0.52) KCNH2SCN5ASCN9AXDHSLC22A12
SCHEMBL4931253 0.78 XDH (0.56) KCNH2SCN5ASCN9AXDHSLC22A12
SCHEMBL4191499 0.77 BRAF (0.59) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9

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 KCNH2 3526/4885SCN5A 3177/4885SCN9A 828/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KCNH2 3526/4885SCN5A 3177/4885SCN9A 828/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KCNH2 3526/4885SCN5A 3177/4885SCN9A 828/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA KCNH2 763/4885SCN5A 732/4885SCN9A 1526/4885

“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.