SCHEMBL2031646

SCHEMBL2031646

Cc1cccc(C2Nc3cccc4cccc(c34)N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 1.00
KMT2A Q03164 16/20 1.00
NPC1 O15118 7/20 1.00
HPN P05981 1/20 1.00
GAA P10253 6/20 0.67
KDM4E B2RXH2 4/20 0.67
MCL1 Q07820 2/20 0.66
POLB P06746 1/20 0.66
AR P10275 2/20 0.59
MAPT P10636 3/20 0.57
PBRM1 Q86U86 3/20 0.57
ALDH1A1 P00352 2/20 0.57
IDE P14735 1/20 0.56
RAB9A P51151 2/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL13035685 0.82 MEN1 (1.00) MEN1KMT2ANPC1HPNGAA
SCHEMBL13035699 0.80 MEN1 (1.00) MEN1KMT2ANPC1HPNGAA
SCHEMBL14709209 0.79 MEN1 (1.00) MEN1KMT2ANPC1HPNGAA
SCHEMBL14709208 0.79 MEN1 (0.70) MEN1KMT2ANPC1HPNGAA
SCHEMBL13035693 0.79 MEN1 (1.00) MEN1KMT2ANPC1HPNGAA
SCHEMBL13035675 0.79 MEN1 (0.84) MEN1KMT2ANPC1HPNGAA
SCHEMBL16229294 0.77 MEN1 (0.68) MEN1KMT2ANPC1HPNGAA
SCHEMBL12403784 0.77 MEN1 (0.63) MEN1KMT2ANPC1HPNGAA
SCHEMBL30256834 0.76 TNKS2 (0.69) MEN1KMT2ANPC1HPNGAA
SCHEMBL28902364 0.76 TNKS2 (0.69) MEN1KMT2ANPC1HPNGAA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 US claimed
US-20140127127-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-05-08 US claimed
US-8450334-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-05-28 US claimed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 US claimed
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 US disclosed
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 US disclosed
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 US disclosed
US-20140127127-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-05-08 US disclosed
US-20140127127-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-05-08 US disclosed
US-20140127127-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-05-08 US disclosed
US-8664266-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-03-04 US disclosed
US-8664266-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-03-04 US disclosed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 US disclosed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 US disclosed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 US disclosed
US-20100297046-A1 Compositions and Methods Related to Fructosamine-3-Kinase Inhibitors DYNAMIS THERAPEUTICS, INC. (US) 2010-11-25 US disclosed
US-20100297046-A1 Compositions and Methods Related to Fructosamine-3-Kinase Inhibitors DYNAMIS THERAPEUTICS, INC. (US) 2010-11-25 US disclosed
WO-2009151920-A2 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2009-12-17 WO disclosed
WO-2009151920-A2 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2009-12-17 WO disclosed
WO-2007117394-A2 COMPOSITIONS AND METHODS RELATED TO FRUCTOSAMINE-3-KINASE INHIBITORS DYNAMIS THERAPEUTICS, INC. (US) 2007-10-18 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 (3 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-20100297046-A1 Compositions and Methods Related to Fructosamine-3-Kinase Inhibitors FN3K, ROS1, FN3KRP MEN1 4765/4885KMT2A 2677/4885NPC1 3021/4885
US-20140127127-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 MEN1 286/4885KMT2A 2624/4885NPC1 673/4885
US-20110144139-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 MEN1 286/4885KMT2A 2624/4885NPC1 673/4885

“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.