SCHEMBL5565303

SCHEMBL5565303

CCCNC(=O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSK P43235 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ERN1 O75460 1/20 0.50
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1418448 0.89 CTSK (0.54) LMNAPOLBALDH1A1L3MBTL1NPC1
SCHEMBL3587685 0.86 LMNA (0.56) LMNAPOLBALDH1A1L3MBTL1NPC1
SCHEMBL3603021 0.84 ALDH1A1 (0.74) LMNAPOLBALDH1A1L3MBTL1NPC1
SCHEMBL25232222 0.83 ALDH1A1 (0.52) LMNAPOLBALDH1A1L3MBTL1NPC1
SCHEMBL15610705 0.82 CTSK (0.50) LMNAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL15630988 0.82 CTSK (0.50) LMNAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL1468345 0.81 LMNA (0.59) LMNAPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL6024367 0.81 ATM (0.51) LMNAPOLBALDH1A1L3MBTL1RAB9A
SCHEMBL30871059 0.81 ATM (0.51) LMNAPOLBALDH1A1L3MBTL1RAB9A
SCHEMBL7491797 0.81 ALDH1A1 (0.73) LMNAALDH1A1NPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1751118-A1 PYRIMIDINES FOR USE AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-02-14 EP disclosed
WO-2005113515-A1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO disclosed
US-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
EP-1598343-A1 2-Arylaminopyrimidine derivatives as PLK inhibitors Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP 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-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents MKI67, CCNY, CCNO LMNA 3234/4885POLB 962/4885ALDH1A1 1245/4885

“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.