SCHEMBL4159902

SCHEMBL4159902

Brc1cccc(Nc2cncc(-c3ccncc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 5/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
RAB9A P51151 1/20 0.42
XDH P47989 3/20 0.41
SLC22A12 Q96S37 3/20 0.41
BUB1 O43683 1/20 0.41
KDR P35968 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
SYK P43405 1/20 0.39

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
SCHEMBL4189083 0.87 MEN1 (0.57) NPC1MEN1PKMKMT2AEGFR
SCHEMBL4199200 0.82 PIP4K2A (0.44) NPC1MEN1PKMKMT2AEGFR
SCHEMBL4184911 0.82 EGFR (0.47) NPC1MEN1PKMKMT2AEGFR
SCHEMBL4152611 0.82 PKMYT1 (0.52) HDAC3HDAC1HDAC2HDAC6PIP4K2A
SCHEMBL4162173 0.82 XDH (0.58) MEN1KMT2AEGFRPTGS1PTGS2
SCHEMBL4182381 0.80 EGFR (0.45) EGFRXDHSLC22A12KDR
SCHEMBL8470618 0.80 EGFR (0.51) NPC1MEN1PKMKMT2AEGFR
SCHEMBL4195771 0.78 BIRC5 (0.62) NPC1MEN1PKMKMT2AEGFR
SCHEMBL4199469 0.77 BRAF (0.44) MEN1KMT2AEGFRHDAC3HDAC1
SCHEMBL4148401 0.76 ABL1 (0.58) NPC1MEN1PKMKMT2AEGFR

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 10 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
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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 (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 NPC1 1679/4885MEN1 789/4885PKM 495/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 NPC1 883/4885MEN1 2363/4885PKM 2825/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 NPC1 883/4885MEN1 2363/4885PKM 2825/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 NPC1 883/4885MEN1 2363/4885PKM 2825/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA NPC1 2708/4885MEN1 826/4885PKM 72/4885

“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.