SCHEMBL4191925

SCHEMBL4191925

COc1ccc(Nc2cncc(-c3cncc(OC)c3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.61
SLC22A12 Q96S37 1/20 0.61
CYP11B1 P15538 7/20 0.55
CYP11B2 P19099 7/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50

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
SCHEMBL4195748 0.89 KCNH2 (0.52) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4196858 0.87 XDH (0.50) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4185063 0.86 ALPL (0.52) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4143146 0.82 XDH (0.62) XDHSLC22A12CYP11B1CYP11B2GAA
SCHEMBL2821275 0.82 XDH (0.56) XDHSLC22A12CYP11B1CYP11B2GAA
SCHEMBL21960161 0.81 CYP11B1 (0.73) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4189069 0.81 TDP2 (0.62) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL4191499 0.80 BRAF (0.59) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4182381 0.80 EGFR (0.45) XDHSLC22A12CYP11B1CYP11B2CYP1A2
SCHEMBL2821463 0.79 RAB9A (0.57) XDHSLC22A12GAAMAPTRAB9A

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 XDH 1630/4885SLC22A12 3973/4885CYP11B1 64/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885CYP11B1 64/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 XDH 1630/4885SLC22A12 3973/4885CYP11B1 64/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885CYP11B1 348/4885

“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.