SCHEMBL4559928

SCHEMBL4559928

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(C(=O)NCCN(C)C)cc2)nc1Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK9 P50750 1/20 0.56
SRC P12931 3/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
BRAF P15056 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
IKBKG Q9Y6K9 1/20 0.47
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
CDC7 O00311 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
PTK2 Q05397 1/20 0.45

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
SCHEMBL5689021 0.85 TP53 (0.65) SRCTP53MAPTSMN1; SMN2EGFR
SCHEMBL5686350 0.83 LCK (0.55) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4484444 0.83 LCK (0.64) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4559339 0.80 SRC (0.60) SRCBTK
SCHEMBL4560051 0.79 SRC (0.58) SRCBTK
SCHEMBL5689113 0.77 CCNT1 (0.53) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4508576 0.77 LCK (0.58) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4505987 0.77 LCK (0.48) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4496982 0.76 POLB (0.49) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL5261848 0.74 IGF1R (0.74) CCNT1CCNE1CDK2CDK9AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP claimed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (1 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 CCNT1 258/4885CCNE1 737/4885CDK2 951/4885

“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.