SCHEMBL1825643

SCHEMBL1825643

Cc1nc(C(=O)N2CCN(C)CC2)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
LMNA P02545 4/20 0.65
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
POLB P06746 3/20 0.56
SIRT6 Q8N6T7 1/20 0.49
HPGD P15428 1/20 0.48
HRH4 Q9H3N8 2/20 0.47

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
SCHEMBL1824096 0.83 HRH4 (0.47) TDP1LMNAALDH1A1MAPTHPGD
SCHEMBL1820467 0.80 TDP1 (1.00) TDP1LMNAHTTL3MBTL1ALDH1A1
SCHEMBL3242008 0.79 LMNA (1.00) TDP1LMNAHTTL3MBTL1ALDH1A1
SCHEMBL1822332 0.77 TDP1 (0.74) TDP1LMNAHTTL3MBTL1ALDH1A1
SCHEMBL110101 0.74 ALDH1A1 (0.72) LMNAL3MBTL1ALDH1A1POLBSIRT6
SCHEMBL6320995 0.72 TDP1 (0.67) TDP1LMNAHTTL3MBTL1ALDH1A1
SCHEMBL5466738 0.71 SIRT6 (0.79) LMNAHTTALDH1A1MAPTPOLB
SCHEMBL11073261 0.70 TDP1 (0.63) TDP1LMNAHTTL3MBTL1ALDH1A1
SCHEMBL21625180 0.70 MEN1 (0.48) L3MBTL1ALDH1A1MAPTSIRT6HPGD
SCHEMBL4039721 0.70 KMT2A (0.65) LMNAL3MBTL1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE TDP1 377/4885LMNA 4439/4885HTT 3748/4885

“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.