SCHEMBL4199542

SCHEMBL4199542

COc1ncc(-c2cncc(Nc3ccccc3)c2)c(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.45
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.42
LDHA P00338 1/20 0.42
XDH P47989 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
BRAF P15056 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
FYN P06241 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4191805 0.89 SIRT2 (0.44) PDPK1QPCTQPCTLPTGES2LDHA
SCHEMBL4189133 0.87 EGFR (0.50) PDPK1QPCTQPCTLPTGES2LDHA
SCHEMBL4189245 0.87 ALDH1A1 (0.47) PDPK1QPCTQPCTLPTGES2LDHA
SCHEMBL4201191 0.86 ALPL (0.41) QPCTQPCTLCYP2C19MEN1KMT2A
SCHEMBL4193364 0.82 TDP2 (0.52) QPCTQPCTLXDHSLC22A12MAPK1
SCHEMBL3767625 0.78 QPCT (0.54) QPCTQPCTLPTGES2CYP1A2MAPK1
SCHEMBL4196611 0.74 KCNH2 (0.46) QPCTQPCTLPTGES2LDHAKCNH2
SCHEMBL4199443 0.73 FYN (0.51) QPCTQPCTLPTGES2BRAFCYP1A2
SCHEMBL4194341 0.71 ALPL (0.51) PDPK1XDHSLC22A12BRAFPDGFRB
SCHEMBL4192415 0.70 XDH (0.59) XDHSLC22A12BRAFMAPK1HSD17B10

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 PDPK1 692/4885QPCT 4668/4885QPCTL 4642/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PDPK1 692/4885QPCT 4668/4885QPCTL 4642/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PDPK1 692/4885QPCT 4668/4885QPCTL 4642/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PDPK1 463/4885QPCT 893/4885QPCTL 1458/4885

“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.