SCHEMBL3283028

SCHEMBL3283028

CCCN(Cc1ccc([N+](=O)[O-])cc1)c1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.46
RAB9A P51151 2/20 0.44
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.39
PTK2B Q14289 1/20 0.39
GSK3B P49841 1/20 0.39
STK17B O94768 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1918694 0.83 STK17A (0.48) STK17ARAB9APIK3CAPIK3CBPIK3CG
SCHEMBL5417252 0.83 STK17A (0.55) STK17ARAB9APIK3CAPIK3CBPIK3CG
SCHEMBL1917573 0.82 STK17A (0.47) STK17AMAPTMEN1KMT2ACYP1A2
SCHEMBL1916708 0.82 STK17A (0.46) STK17AMAPTMEN1KMT2ACYP1A2
SCHEMBL1916879 0.80 STK17A (0.47) STK17AMAPTMEN1KMT2ACYP1A2
SCHEMBL3283582 0.80 STK17A (0.45) STK17AMAPTMEN1KMT2ACYP1A2
SCHEMBL3283915 0.79 STK17A (0.50) STK17ARAB9AMAPTMEN1KMT2A
SCHEMBL3284134 0.79 STK17A (0.50) STK17ARAB9AMAPTMEN1KMT2A
SCHEMBL1918797 0.79 STK17A (0.48) STK17ARAB9AMAPTMEN1KMT2A
SCHEMBL1916637 0.79 STK17A (0.53) STK17APIK3CAPIK3CBPIK3CGMAPT

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
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD STK17A 1083/4885RAB9A 2021/4885PIK3CA 180/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR STK17A 2304/4885RAB9A 2294/4885PIK3CA 247/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17A 1083/4885RAB9A 2021/4885PIK3CA 180/4885

“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.