SCHEMBL5405499

SCHEMBL5405499

CNc1nc(SC)nc(NC)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP2C19 P33261 2/20 0.59
GABBR2 O75899 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
GABBR1 Q9UBS5 1/20 0.59
LMNA P02545 7/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.42
GALR2 O43603 1/20 0.42
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
HASPIN Q8TF76 1/20 0.35
TNFSF10 P50591 1/20 0.34
ALDH1A1 P00352 4/20 0.33

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
SCHEMBL10912214 0.89 TDP1 (0.50) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL11860427 0.89 KMT2A (0.54) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL5418906 0.88 MEN1 (0.49) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL5415279 0.88 LMNA (0.50) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL5417648 0.85 MEN1 (0.47) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL5413186 0.85 MEN1 (0.47) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL11851320 0.84 TDP1 (0.46) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL11868319 0.83 TDP1 (0.45) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL11855381 0.80 MEN1 (0.59) KMT2AMEN1TDP1CYP2C19GABBR2
SCHEMBL11749924 0.80 TDP1 (0.55) KMT2AMEN1TDP1CYP2C19GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (2 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 KMT2A 4026/4885MEN1 3119/4885TDP1 17/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 KMT2A 4480/4885MEN1 2729/4885TDP1 38/4885

“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.