SCHEMBL5514466

SCHEMBL5514466

O=[N+]([O-])c1cnc(Nc2ccncc2)nc1NC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.55
▸ GSK3A P49840 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ BLM P54132 2/20 0.51
▸ ATM Q13315 2/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ CDK2 P24941 1/20 0.48
▸ FLT3 P36888 1/20 0.47
▸ TYRO3 Q06418 1/20 0.47
▸ MERTK Q12866 1/20 0.47
▸ GAS6 Q14393 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
SCHEMBL5408153 0.82 STK17A (0.61) GSK3BGSK3AMEN1KMT2ACYP1A2
SCHEMBL5520583 0.81 SYK (0.65) MEN1KMT2ACDK2AURKASYK
SCHEMBL25250460 0.81 GSK3B (0.67) GSK3BGSK3AMEN1KMT2ABLM
SCHEMBL15153313 0.80 EGFR (0.54) GSK3BGSK3AMEN1KMT2ABLM
SCHEMBL5513153 0.80 SYK (0.65) CDK2SYK
SCHEMBL14001913 0.80 SYK (0.64) MEN1KMT2ACDK2AURKASYK
SCHEMBL5511671 0.80 SYK (0.54) SYK
SCHEMBL12639219 0.80 SYK (0.64) CDK2AURKASYK
SCHEMBL5518430 0.79 ULK1 (0.52) FLT3TYRO3MERTKGAS6SYK
SCHEMBL27745500 0.79 ULK1 (0.57) GSK3BGSK3AMEN1KMT2ABLM

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-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 (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 GSK3B 414/4885GSK3A 529/4885MEN1 3793/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 GSK3B 631/4885GSK3A 872/4885MEN1 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.

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