SCHEMBL4191805

SCHEMBL4191805

COc1ncc(-c2cncc(Nc3ccc4ccccc4c3)c2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
PIK3CB P42338 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.40
IGF1R P08069 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LDHA P00338 1/20 0.38
DHFR P00374 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDPK1 O15530 3/20 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
SCHEMBL4199542 0.89 PDPK1 (0.45) QPCTQPCTLPTGES2ALDH1A1HPGD
SCHEMBL4189133 0.84 EGFR (0.50) QPCTQPCTLPTGES2CYP3A4LDHA
SCHEMBL4189245 0.84 ALDH1A1 (0.47) QPCTQPCTLPTGES2ALDH1A1LDHA
SCHEMBL4193364 0.81 TDP2 (0.52) QPCTQPCTLMEN1KMT2AXDH
SCHEMBL4201191 0.81 ALPL (0.41) QPCTQPCTLKDM4EMEN1KMT2A
SCHEMBL4194119 0.75 SIRT2 (0.50) SIRT2SIRT1SIRT3IGF1RALDH1A1
SCHEMBL3767625 0.72 QPCT (0.54) QPCTQPCTLPTGES2ALDH1A1HPGD
SCHEMBL4196611 0.72 KCNH2 (0.46) QPCTQPCTLPTGES2ALDH1A1LDHA
SCHEMBL4199443 0.70 FYN (0.51) QPCTQPCTLPTGES2ALDH1A1HPGD
SCHEMBL4164292 0.68 HSD17B1 (0.54) SIRT2SIRT1SIRT3PIK3CBALDH1A1

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 SIRT2 1199/4885SIRT1 973/4885SIRT3 543/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SIRT2 1199/4885SIRT1 973/4885SIRT3 543/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 SIRT2 1199/4885SIRT1 973/4885SIRT3 543/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA SIRT2 1914/4885SIRT1 1572/4885SIRT3 584/4885

“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.