SCHEMBL5520583

SCHEMBL5520583

O=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.65
ADORA3 P0DMS8 6/20 0.58
MEN1 O00255 1/20 0.57
AURKA O14965 1/20 0.57
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
TYK2 P29597 1/20 0.57
TTK P33981 1/20 0.57
JAK3 P52333 1/20 0.57
KMT2A Q03164 1/20 0.57
AURKB Q96GD4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
AURKC Q9UQB9 1/20 0.57
STAT6 P42226 1/20 0.53
CCNB2 O95067 1/20 0.52
CCNE2 O96020 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 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
SCHEMBL14001913 0.99 SYK (0.64) SYKADORA3MEN1AURKAJAK2
SCHEMBL5511671 0.89 SYK (0.54) SYK
SCHEMBL5513153 0.89 SYK (0.65) SYKCCNE2CDK4CCNA2CCND1
SCHEMBL12639219 0.89 SYK (0.64) SYKAURKACCNB2CCNE2CDK1
SCHEMBL12065027 0.87 SYK (0.52) SYKAURKAJAK3AURKB
SCHEMBL14847372 0.85 SYK (0.67) SYK
SCHEMBL5418565 0.85 SYK (0.58) SYKMEN1JAK2KMT2ATDP1
SCHEMBL12065443 0.84 SYK (0.55) SYKMEN1KMT2ASTAT6CDK1
SCHEMBL5514476 0.83 SYK (0.70) SYKADORA3MEN1AURKAJAK2
SCHEMBL12952276 0.83 SYK (0.75) SYKADORA3MEN1AURKAJAK2

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-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
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US 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 (2 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 1655/4885ADORA3 2229/4885MEN1 3793/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 SYK 521/4885ADORA3 1812/4885MEN1 3347/4885

“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.