SCHEMBL1030285

SCHEMBL1030285

CNc1nc(NC)nc(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
NUDT1 P36639 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ADORA1 P30542 4/20 0.52
ADORA2A P29274 2/20 0.52
IDH2 P48735 1/20 0.51
IDH1 O75874 2/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TRIM58 Q8NG06 1/20 0.47
ADORA2B P29275 2/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IMPDH2 P12268 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6978463 0.96 TDP1 (0.57) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL24218050 0.95 TDP1 (0.61) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL13765582 0.89 IDH1 (0.53) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL19240826 0.89 IDH2 (0.69) TDP1L3MBTL1IDH2LMNAGAA
SCHEMBL22435819 0.88 L3MBTL1 (0.67) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL15131484 0.87 NPC1 (0.56) TDP1NUDT1IDH1LMNAMEN1
SCHEMBL527618 0.86 ADORA2A (0.64) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL2262628 0.86 LMNA (0.59) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL13765579 0.84 IDH1 (0.49) TDP1NUDT1L3MBTL1ADORA1ADORA2A
SCHEMBL6975276 0.83 ADORA2A (0.60) TDP1NUDT1ADORA1ADORA2ATRIM58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268610-B1 METHOD FOR PRODUCING A COMPOUND WITH AT LEAST ONE AT LEAST MONOSUBSTITUTED AMINO GROUP BOREALIS AGROLINZ MELAMINE (AT) 2016-08-03 EP disclosed
US-8871842-B2 Method for producing a compound with at least one at least monosubstituted amino group BOREALIS AGROLINZ MELAMINE GMBH (AT) 2014-10-28 US disclosed
US-20110178212-A1 Method for Producing a Compound with at Least One at Least Monosubstituted Amino Group BOREALIS AGROLINZ MELAMINE GMBH (AT) 2011-07-21 US disclosed
US-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES GARDI STEFANO 2011-01-20 US disclosed
US-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES GARDI STEFANO 2011-01-20 US disclosed
EP-2268610-A1 METHOD FOR PRODUCING A COMPOUND WITH AT LEAST ONE AT LEAST MONOSUBSTITUTED AMINO GROUP Borealis Agrolinz Melamine GmbH (AT) 2011-01-05 EP disclosed
WO-2009121603-A1 METHOD FOR PRODUCING A COMPOUND WITH AT LEAST ONE AT LEAST MONOSUBSTITUTED AMINO GROUP BOREALIS AGROLINZ MELAMINE GMBH (AT) 2009-10-08 WO disclosed
US-20090076206-A1 Additive Mixtures for Agricultural Articles CIBA SPECIALTY CHEMICALS CORP. 2009-03-19 US disclosed
US-20090076206-A1 Additive Mixtures for Agricultural Articles CIBA SPECIALTY CHEMICALS CORP. 2009-03-19 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 (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-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES ACMSD, SCD5, DEGS1 TDP1 595/4885NUDT1 4300/4885L3MBTL1 4387/4885
US-20090076206-A1 Additive Mixtures for Agricultural Articles SOD1, PPOX, CYBB TDP1 1244/4885NUDT1 3271/4885L3MBTL1 2084/4885
US-20110178212-A1 Method for Producing a Compound with at Least One at Least Monosubstituted Amino Group INMT, AADAT, AANAT TDP1 3692/4885NUDT1 341/4885L3MBTL1 4393/4885

“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.