Sugi Predict

Sugi Predict / Compounds / SCHEMBL4500544

SCHEMBL4500544

SCHEMBL4500544

CN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(Oc4ccc5ccccc5c4)n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.59
▸ JAK3 P52333 2/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ BLK P51451 1/20 0.59
▸ BMX P51813 1/20 0.59
▸ SRC P12931 10/20 0.57
▸ FGFR1 P11362 2/20 0.56
▸ HCK P08631 1/20 0.56
▸ CTSC P53634 1/20 0.56
▸ MAP3K7 O43318 2/20 0.54
▸ MAP2K1 Q02750 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ TNK2 Q07912 2/20 0.52
▸ BTK Q06187 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
SCHEMBL4488277 0.92 JAK3 (0.60) EGFRJAK3JAK2BLKBMX
SCHEMBL4488353 0.91 LCK (0.63) EGFRJAK3JAK2BLKBMX
SCHEMBL4501583 0.89 SIK1 (0.56) EGFRJAK3JAK2BLKBMX
SCHEMBL4489352 0.88 PAK1 (0.55) EGFRSRCFGFR1
SCHEMBL4499760 0.87 MAP3K7 (0.60) EGFRJAK3JAK2BLKBMX
SCHEMBL27313555 0.87 SRC (0.64) EGFRJAK3JAK2BLKBMX
SCHEMBL30962725 0.87 SRC (0.64) EGFRJAK3JAK2BLKBMX
SCHEMBL4507796 0.87 SRC (0.60) EGFRJAK3JAK2BLKBMX
SCHEMBL4488398 0.87 TNK2 (0.59) EGFRJAK3JAK2BLKBMX
SCHEMBL31454765 0.85 SRC (0.63) EGFRJAK3JAK2BLKBMX

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 EGFR 2918/4885JAK3 900/4885JAK2 513/4885

“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.