SCHEMBL6441000

SCHEMBL6441000

N#CC1=C(N)SC(N)=C(C#N)C1c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.55
ALDH1A1 P00352 12/20 0.55
MAPT P10636 12/20 0.55
MEN1 O00255 12/20 0.55
KDM4E B2RXH2 10/20 0.55
HSD17B10 Q99714 10/20 0.55
ALOX15 P16050 8/20 0.55
HPGD P15428 7/20 0.55
TDP1 Q9NUW8 3/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CUL4A Q13619 5/20 0.54
CASP1 P29466 6/20 0.53
POLB P06746 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
CASP7 P55210 3/20 0.53
BLM P54132 1/20 0.53
GAA P10253 3/20 0.50
BRCA1 P38398 3/20 0.50

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
SCHEMBL7820645 0.75 KDM4E (0.54) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL13295969 0.73 ALDH1A1 (0.49) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL15572548 0.71 CUL4A (1.00) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3324580 0.69 ALDH1A1 (0.45) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL15572039 0.67 CUL4A (1.00) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL15572213 0.66 EEF2K (1.00) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL15571632 0.63 MEN1 (0.68) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL7275798 0.63 KDM4E (0.58) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL31567856 0.63 MEN1 (1.00) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL187001 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104968323-B CRL4 ubiquitin ligase inhibitors and uses thereof 康奈尔大学 2020-08-21 CN claimed
US-10617683-B2 Inhibitors of CRL4 ubiquitin ligase and uses thereof CORNELL UNIVERSITY (US) 2020-04-14 US claimed
US-20150196546-A1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY 2015-07-16 US claimed
EP-2887940-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF Cornell University (US) 2015-07-01 EP claimed
WO-2014031759-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY (US) 2014-02-27 WO claimed
CN-104968323-B CRL4 ubiquitin ligase inhibitors and uses thereof 康奈尔大学 2020-08-21 CN disclosed
US-10617683-B2 Inhibitors of CRL4 ubiquitin ligase and uses thereof CORNELL UNIVERSITY (US) 2020-04-14 US disclosed
EP-2887940-B1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF UNIV CORNELL (US) 2019-06-05 EP disclosed
US-20150196546-A1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY 2015-07-16 US disclosed
EP-2887940-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF Cornell University (US) 2015-07-01 EP disclosed
WO-2014031759-A2 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF CORNELL UNIVERSITY (US) 2014-02-27 WO disclosed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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 (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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 KMT2A 2463/4885ALDH1A1 534/4885MAPT 1878/4885

“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.