SCHEMBL750157

SCHEMBL750157

Nc1cccc(Cc2ncccn2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
CD44 P16070 1/20 0.35
BACE1 P56817 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
HTR1A P08908 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL3132841 0.80 CD44 (0.46) HIF1ACD44HSD17B10ALDH1A1CYP3A4
SCHEMBL8392790 0.79 L3MBTL1 (0.50) MAPTLMNATAAR1ALDH1A1TDP1
SCHEMBL6648051 0.74 LOXL2 (0.45) LMNACD44CYP19A1CYP3A4
SCHEMBL2356316 0.74 CYP3A4 (0.41) CD44HSD17B10ALDH1A1CYP3A4HPGD
SCHEMBL102570 0.71 HTR2A (0.50) CD44CYP3A4HPGD
SCHEMBL10822699 0.71 MAPT (0.41) HSP90AA1KMT2AMAPTMEN1LMNA
SCHEMBL3482721 0.71 CD44 (0.46) CD44TAAR1HSD17B10ALDH1A1CYP3A4
SCHEMBL7041083 0.71 MAPT (0.44) HSP90AA1KMT2AMAPTMEN1LMNA
SCHEMBL30612271 0.71 CHRNA7 (0.46) HTTALDH1A1
SCHEMBL9665011 0.71 CHRNA7 (0.46) HTTALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613420-B1 METHOD FOR SELECTIVELY BINDING A SUBSTRATE TO SORBENTS BY WAY OF AT LEAST BIVALENT BONDS INSTRACTION GMBH (DE) 2015-05-13 EP disclosed
EP-2429564-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ANTIFUNGAL PEPTIDES BASF SE (DE) 2012-03-21 EP disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 US disclosed
WO-2010139539-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ANTIFUNGAL PEPTIDES BASF SE (DE) 2010-12-09 WO disclosed
US-20090162858-A1 Orthogonal chemical inducer of dimerization TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-06-25 US disclosed
US-20060292569-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2006-12-28 US disclosed
EP-1641833-A2 SYSTEM COMPRISING EFFECTORS AND ELASTOMERS MODIFIED BY VARIABLE-VOLUME RECEPTORS, METHOD FOR THE PRODUCTION AND USE THEREOF instrAction GmbH (DE) 2006-04-05 EP disclosed
EP-1613420-A2 METHOD FOR SELECTIVELY BINDING A SUBSTRATE TO SORBENTS BY WAY OF AT LEAST BIVALENT BONDS instrAction GmbH (DE) 2006-01-11 EP disclosed
WO-2005003179-A2 SYSTEM COMPRISING EFFECTORS AND ELASTOMERS MODIFIED BY VARIABLE-VOLUME RECEPTORS, METHOD FOR THE PRODUCTION AND USE THEREOF INSTRACTION GMBH (DE) 2005-01-13 WO disclosed
WO-2004085046-A2 METHOD FOR SELECTIVELY BINDING A SUBSTRATE TO SORBENTS BY WAY OF AT LEAST BIVALENT BONDS INSTRACTION GMBH (DE) 2004-10-07 WO disclosed
WO-2004059000-A2 HIGH-THROUGHPUT SCREENING METHOD FOR IDENTIFYING ACTIVE SUBSTANCES BY MEANS OF CO-CULTIVATION PHENION GMBH & CO. KG (DE) 2004-07-15 WO disclosed
US-6156724-A Uses of didemnins as immunomodulating agents PHARMA MAR, S.A. (ES) 2000-12-05 US disclosed
US-5721242-A ADMINISTERING A SYNERGISTIC COMBINATION OF EPIROPRIM AND DAPSONE HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US 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 (1 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-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds SPR, ABCG2, SHBG HSP90AA1 1170/4885KMT2A 2726/4885MAPT 2216/4885

“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.