SCHEMBL4501894

SCHEMBL4501894

CCCc1ccc(Oc2nc(Nc3cccc(C(=O)NCCN(C)C)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.46
CDK2 P24941 2/20 0.46
CDK9 P50750 2/20 0.46
CCNE1 P24864 1/20 0.46
PTK2 Q05397 8/20 0.45
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
TNK2 Q07912 1/20 0.44
MAPT P10636 1/20 0.42
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
PLK1 P53350 1/20 0.41
MAPK1 P28482 1/20 0.40
IGF1R P08069 1/20 0.40
SRC P12931 3/20 0.40
YES1 P07947 1/20 0.40
PDGFRB P09619 1/20 0.40
CCNA2 P20248 1/20 0.40
GSK3A P49840 1/20 0.39

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
SCHEMBL4505987 0.94 LCK (0.48) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL4497894 0.93 CCNT1 (0.43) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL5689113 0.90 CCNT1 (0.53) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL4480946 0.87 LCK (0.43) CCNT1CDK2CDK9LCKJAK3
SCHEMBL4500046 0.87 LCK (0.47) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL4489037 0.86 LCK (0.43) PTK2LCKJAK3BTKTNK2
SCHEMBL4508576 0.86 LCK (0.58) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL4494707 0.83 LCK (0.51) LCKJAK3BTKTNK2MAPT
SCHEMBL5686350 0.83 LCK (0.55) CCNT1CDK2CDK9CCNE1PTK2
SCHEMBL4495907 0.82 LCK (0.47) LCKJAK3BTKTNK2MAPT

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 258/4885CDK2 951/4885CDK9 1532/4885

“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.