SCHEMBL4496982

SCHEMBL4496982

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(C(=O)NCCN(C)C)cc2)nc1Oc1cccc2c1OC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
LCK P06239 1/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
TNK2 Q07912 1/20 0.47
CCNT1 O60563 2/20 0.41
CDK2 P24941 2/20 0.41
CDK9 P50750 2/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
SRC P12931 1/20 0.41
PTK2 Q05397 2/20 0.41
BRAF P15056 1/20 0.40
LMNA P02545 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 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
SCHEMBL4493798 0.86 LCK (0.47) POLBMAPTLCKJAK3BTK
SCHEMBL4500525 0.85 LCK (0.57) LCKJAK3BTKTNK2SRC
SCHEMBL4484237 0.84 LCK (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL5686350 0.84 LCK (0.55) LCKJAK3BTKTNK2CCNT1
SCHEMBL4484444 0.83 LCK (0.64) MAPTLCKJAK3BTKTNK2
SCHEMBL4505318 0.82 LCK (0.60) LCKJAK3BTKTNK2CDK2
SCHEMBL4485341 0.80 LCK (0.57) LCKJAK3BTKTNK2SRC
SCHEMBL4497365 0.79 LCK (0.41) POLBMAPTLCKJAK3BTK
SCHEMBL4505987 0.77 LCK (0.48) MAPTLCKJAK3BTKTNK2
SCHEMBL4488643 0.77 SIK1 (0.61) POLBMAPTLCKJAK3BTK

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 5 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
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 POLB 4259/4885MAPT 353/4885LCK 33/4885

“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.