SCHEMBL4201191

SCHEMBL4201191

COc1ncc(-c2cncc(Nc3ccc(C#N)cc3)c2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 8/20 0.38
MDM2 Q00987 8/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.37
ACP1 P24666 1/20 0.37
GSK3B P49841 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL4199542 0.86 PDPK1 (0.45) QPCTQPCTLKDM4EMEN1KMT2A
SCHEMBL4189245 0.83 ALDH1A1 (0.47) QPCTQPCTLKDM4ETP53MDM2
SCHEMBL4191805 0.81 SIRT2 (0.44) ALPLQPCTQPCTLKDM4EMEN1
SCHEMBL4189133 0.79 EGFR (0.50) ALPLQPCTQPCTLKDM4ECYP2C9
SCHEMBL4193364 0.78 TDP2 (0.52) QPCTQPCTLMEN1KMT2ATP53
SCHEMBL4185063 0.77 ALPL (0.52) ALPLKDM4EMEN1KMT2ACYP2C9
SCHEMBL4196481 0.75 ALPL (0.47) ALPLKDM4EMEN1KMT2ACYP2C9
SCHEMBL4187553 0.72 LRRK2 (0.43) ALPLSCN9AABCG2
SCHEMBL6834562 0.72 ALB (0.46) QPCTQPCTLKDM4EGSK3B
SCHEMBL4199443 0.70 FYN (0.51) ALPLQPCTQPCTLCYP2C19

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 ALPL 1226/4885QPCT 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 ALPL 1226/4885QPCT 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 ALPL 1226/4885QPCT 4668/4885QPCTL 4642/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA ALPL 2140/4885QPCT 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.