SCHEMBL5513153

SCHEMBL5513153

CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(NC4CCCC4)n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.65
EGFR P00533 2/20 0.63
PLK1 P53350 3/20 0.60
BRD4 O60885 4/20 0.60
PAK4 O96013 1/20 0.52
CCNE2 O96020 1/20 0.52
CDK4 P11802 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CCND2 P30279 1/20 0.52
CCND3 P30281 1/20 0.52
CCNA1 P78396 1/20 0.52
PAK1 Q13153 1/20 0.52
PKN1 Q16512 1/20 0.52
ALK Q9UM73 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
SCHEMBL12639219 0.99 SYK (0.64) SYKEGFRPLK1BRD4PAK4
SCHEMBL14847372 0.96 SYK (0.67) SYKEGFRPLK1BRD4ALK
SCHEMBL5511671 0.90 SYK (0.54) SYKEGFRPLK1
SCHEMBL5520583 0.89 SYK (0.65) SYKCCNE2CDK4CCNA2CCND1
SCHEMBL14001913 0.89 SYK (0.64) SYKCCNE2CDK4CCNA2CCND1
SCHEMBL15153277 0.86 SYK (0.51) SYKEGFRPLK1BRD4ALK
SCHEMBL12064871 0.86 EGFR (0.69) SYKEGFRPLK1BRD4CCNA2
SCHEMBL15153360 0.85 EGFR (0.59) SYKEGFRPLK1BRD4CCNE2
SCHEMBL16120467 0.85 SYK (0.61) SYKEGFRBRD4PAK4CCNE2
SCHEMBL17709573 0.85 SYK (0.61) SYKEGFRBRD4PAK4CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 EP 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-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
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 (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-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof EGFR, PNP, GART SYK 1238/4885EGFR 1/4885PLK1 1742/4885
US-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 SYK 1655/4885EGFR 128/4885PLK1 127/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 SYK 521/4885EGFR 70/4885PLK1 103/4885

“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.