SCHEMBL2988593

SCHEMBL2988593

N=C1C(=N)c2c(ccc3ccccc23)-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.58
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2A6 P11509 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPRT1 P00492 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S100A4 P26447 1/20 0.39
ANPEP P15144 1/20 0.38
CYP1A2 P05177 2/20 0.38
WDR5 P61964 1/20 0.37
HIF1A Q16665 3/20 0.37
CES1 P23141 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL31045609 0.81 DNMT1 (0.69) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL5047700 0.81 DNMT1 (0.69) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL14777719 0.78 DNMT1 (0.64) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL30692007 0.74 DNMT1 (0.61) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL31174009 0.73 DNMT1 (1.00) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL1055754 0.73 DNMT1 (1.00) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL29440308 0.73 DNMT1 (0.92) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL2175783 0.73 DNMT1 (0.92) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL30375875 0.73 DNMT1 (0.92) DNMT1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL196007 0.72 DNMT1 (0.59) DNMT1ALDH1A1TSHRHSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US claimed
US-20160222043-A1 METALLOINSERTOR CONJUGATES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-08-04 US claimed
US-9051345-B2 Metalloinsertor complexes targeted to DNA mismatches CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-06-09 US claimed
US-8859533-B2 Metalloinsertor complexes targeted to DNA mismatches CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-14 US claimed
EP-2707377-A2 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES California Institute of Technology (US) 2014-03-19 EP claimed
US-20130345189-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-12-26 US claimed
US-20130090319-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-04-11 US claimed
WO-2012155004-A2 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES CALIFORNIA INSITUTE OF TECHNOLOGY (US) 2012-11-15 WO claimed
US-7786298-B2 Compounds and methods for nucleic acid mismatch detection CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-08-31 US claimed
US-20070224612-A1 Compounds and methods for nucleic acid mismatch detection CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-27 US claimed
WO-2007084380-A2 COMPOUNDS AND METHODS FOR NUCLEIC ACID MISMATCH DETECTION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-26 WO claimed
CN-108290905-B Method for targeting mismatched DNA by adopting d8 square plane metal complex 香港大学 2020-11-06 CN disclosed
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US disclosed
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US disclosed
US-9969858-B2 Metalloinsertor conjugates CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US disclosed
WO-2007084380-A2 COMPOUNDS AND METHODS FOR NUCLEIC ACID MISMATCH DETECTION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-26 WO disclosed
WO-2007084380-A2 COMPOUNDS AND METHODS FOR NUCLEIC ACID MISMATCH DETECTION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-26 WO disclosed
WO-2002057492-A9 METHODS AND COMPOSITIONS FOR DETECTING POLYNUCLEOTIDE DUPLEX DAMAGE CALIFORNIA INST OF TECHN (US) 2003-12-18 WO disclosed
EP-1349962-A1 METHODS AND COMPOSITIONS FOR DETECTING POLYNUCLEOTIDE DUPLEX DAMAGE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-10-08 EP disclosed
WO-2002057492-A1 METHODS AND COMPOSITIONS FOR DETECTING POLYNUCLEOTIDE DUPLEX DAMAGE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-07-25 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 (4 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-20070224612-A1 Compounds and methods for nucleic acid mismatch detection PCNA, ERCC4, MSH6 DNMT1 68/4885ALDH1A1 614/4885TSHR 4225/4885
US-20160222043-A1 METALLOINSERTOR CONJUGATES MSH2, MSH6, LIG1 DNMT1 290/4885ALDH1A1 209/4885TSHR 2747/4885
US-20130090319-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES MSH2, MSH6, PMS2 DNMT1 66/4885ALDH1A1 2639/4885TSHR 2644/4885
US-20130345189-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES MSH2, MSH6, PMS2 DNMT1 66/4885ALDH1A1 2639/4885TSHR 2644/4885

“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.