SCHEMBL1916409

SCHEMBL1916409

NCC1CCC(CNc2nc(Nc3ccc(Cl)cc3)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.82
DCLK1 O15075 1/20 0.68
MAP4K4 O95819 1/20 0.68
CDK1 P06493 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
PIM1 P11309 1/20 0.68
CYP2C9 P11712 1/20 0.68
PRKACA P17612 1/20 0.68
CDK2 P24941 1/20 0.68
MATK P42679 1/20 0.68
FRK P42685 1/20 0.68
CSNK1D P48730 1/20 0.68
CLK2 P49760 1/20 0.68
GSK3A P49840 1/20 0.68
GSK3B P49841 1/20 0.68
IRAK1 P51617 1/20 0.68
RPS6KA3 P51812 1/20 0.68
CDK5 Q00535 1/20 0.68
PRKCD Q05655 1/20 0.68

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
SCHEMBL1917978 0.91 PRKCQ (0.70) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1916929 0.90 PRKCQ (0.72) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1917897 0.89 PRKCQ (0.80) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1917341 0.88 PRKCQ (0.70) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL13720101 0.88 PRKCQ (1.00) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1918397 0.87 PRKCQ (0.69) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1917855 0.87 PRKCQ (0.76) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1918101 0.86 PRKCQ (0.62) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1915984 0.86 PRKCQ (0.82) PRKCQDCLK1MAP4K4CDK1CYP3A4
SCHEMBL1918925 0.86 PRKCQ (0.61) PRKCQDCLK1MAP4K4CDK1CYP3A4

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 12 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
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 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
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP 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
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME 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 (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 PRKCQ 3224/4885DCLK1 3413/4885MAP4K4 2084/4885
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 PRKCQ 3897/4885DCLK1 3605/4885MAP4K4 2077/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PRKCQ 3224/4885DCLK1 3413/4885MAP4K4 2084/4885

“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.