SCHEMBL4164292

SCHEMBL4164292

Oc1cccc(-c2cncc(Nc3ccc4ccccc4c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.54
HSD17B2 P37059 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
FYN P06241 2/20 0.47
XDH P47989 6/20 0.45
SLC22A12 Q96S37 6/20 0.45
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIK3CB P42338 1/20 0.44

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
SCHEMBL21311940 0.86 FYN (0.53) HSD17B1HSD17B2FYNXDHSLC22A12
SCHEMBL21311941 0.84 FYN (0.52) HSD17B1HSD17B2FYNXDHSLC22A12
SCHEMBL4194358 0.84 XDH (0.60) HSD17B1HSD17B2FYNXDHSLC22A12
SCHEMBL4192006 0.83 SIRT2 (0.50) SIRT2SIRT1SIRT3XDHSLC22A12
SCHEMBL4194542 0.81 BRAF (0.62) SIRT2SIRT1SIRT3FYNTSHR
SCHEMBL4182331 0.81 SIRT2 (0.71) SIRT2SIRT1SIRT3FYNXDH
SCHEMBL4154890 0.81 XDH (0.60) FYNXDHSLC22A12
SCHEMBL4189068 0.80 FYN (0.46) FYNXDHSLC22A12CYP3A4ALDH1A1
SCHEMBL4143146 0.80 XDH (0.62) HSD17B1HSD17B2FYNXDHSLC22A12
SCHEMBL4199325 0.80 FYN (0.64) HSD17B1HSD17B2FYNCYP3A4ALDH1A1

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 8 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 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 (5 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT HSD17B1 1088/4885HSD17B2 1313/4885SIRT2 2412/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 HSD17B1 711/4885HSD17B2 995/4885SIRT2 1199/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 HSD17B1 711/4885HSD17B2 995/4885SIRT2 1199/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 HSD17B1 711/4885HSD17B2 995/4885SIRT2 1199/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA HSD17B1 1693/4885HSD17B2 1662/4885SIRT2 1914/4885

“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.