SCHEMBL5418565

SCHEMBL5418565

CNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.58
STAT6 P42226 1/20 0.57
EGFR P00533 1/20 0.56
IGF1R P08069 4/20 0.54
PLK1 P53350 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
BRD4 O60885 1/20 0.53
CCND3 P30281 2/20 0.53
JAK2 O60674 1/20 0.53
LRRK2 Q5S007 1/20 0.53
CCNK O75909 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
GSK3B P49841 1/20 0.52

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
SCHEMBL12064871 0.89 EGFR (0.69) SYKEGFRPLK1MEN1MAPT
SCHEMBL12065443 0.89 SYK (0.55) SYKSTAT6EGFRIGF1RPLK1
SCHEMBL5520583 0.85 SYK (0.65) SYKSTAT6MEN1KMT2ATDP1
SCHEMBL14001913 0.84 SYK (0.64) SYKSTAT6MEN1KMT2ATDP1
SCHEMBL1916598 0.83 STAT6 (0.58) SYKSTAT6EGFRPLK1MEN1
SCHEMBL5514474 0.81 SYK (0.65) SYKSTAT6IGF1RMAPTMAPK1
SCHEMBL5419368 0.80 GSK3B (0.63) EGFRPLK1MEN1MAPTKMT2A
SCHEMBL5408207 0.79 GSK3B (0.61) EGFRIGF1RPLK1MEN1MAPT
SCHEMBL5408180 0.79 STK17A (0.66) PLK1MEN1MAPTKMT2AMAPK1
SCHEMBL5405521 0.79 GSK3B (0.61) PLK1MEN1MAPTKMT2ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
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
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 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
CN-1373763-A Pteridinones and kinase inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 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 (4 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 SYK 1655/4885STAT6 3578/4885EGFR 128/4885
US-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 SYK 1842/4885STAT6 4302/4885EGFR 3316/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 SYK 521/4885STAT6 1264/4885EGFR 70/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 SYK 818/4885STAT6 3132/4885EGFR 3952/4885

“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.