SCHEMBL1916628

SCHEMBL1916628

NS(=O)(=O)c1ccc(CNc2nc(Nc3ccc(Cl)cc3)ncc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.64
PRKCQ Q04759 4/20 0.56
NTRK1 P04629 2/20 0.56
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
CA7 P43166 2/20 0.51
CA13 Q8N1Q1 2/20 0.51
CA9 Q16790 2/20 0.51
PTK2 Q05397 3/20 0.51
IKBKB O14920 2/20 0.48
GSK3B P49841 1/20 0.48
CA12 O43570 1/20 0.47
CA14 Q9ULX7 1/20 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
SCHEMBL1916733 0.90 STK17A (0.67) STK17APRKCQNTRK1CA2CA1
SCHEMBL1916912 0.89 STK17A (0.70) STK17APRKCQPTK2GSK3B
SCHEMBL1916457 0.88 STK17A (0.66) STK17APRKCQPTK2GSK3B
SCHEMBL1917436 0.87 STK17A (0.64) STK17APRKCQCA9PTK2GSK3B
SCHEMBL5416389 0.86 STK17A (0.67) STK17APRKCQGSK3B
SCHEMBL1916403 0.85 STK17A (0.66) STK17APRKCQPTK2GSK3B
SCHEMBL3288322 0.84 STK17A (0.61) STK17APRKCQCA9PTK2GSK3B
SCHEMBL1916168 0.81 STK17A (0.63) STK17APRKCQNTRK1PTK2GSK3B
SCHEMBL1916376 0.81 NTRK1 (0.54) PRKCQNTRK1CA2CA1CA7
SCHEMBL1916586 0.80 STK17A (0.61) STK17APRKCQNTRK1PTK2GSK3B

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 10 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
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 1083/4885PRKCQ 3224/4885NTRK1 3805/4885
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 2304/4885PRKCQ 3897/4885NTRK1 4212/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17A 1083/4885PRKCQ 3224/4885NTRK1 3805/4885

“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.