Sugi Predict

Sugi Predict / Compounds / SCHEMBL4499147

SCHEMBL4499147

SCHEMBL4499147

COc1ccc(CCC(=O)NCc2ccccc2)cc1Oc1nc(Nc2ccc(OCCCN3CCN(C)CC3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 6/20 0.47
▸ SRC P12931 5/20 0.47
▸ KDR P35968 5/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ SIK1 P57059 2/20 0.43
▸ SIK2 Q9H0K1 2/20 0.43
▸ SIK3 Q9Y2K2 2/20 0.43
▸ JAK3 P52333 2/20 0.42
▸ BTK Q06187 2/20 0.42
▸ TNK2 Q07912 2/20 0.42
▸ MET P08581 6/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL4509243 0.95 LCK (0.47) LCKSRCKDRMAPK14SIK1
SCHEMBL4506418 0.91 LCK (0.48) LCKSRCKDRMAPK14SIK1
SCHEMBL5689342 0.90 LCK (0.46) LCKSRCKDRMAPK14SIK1
SCHEMBL4484555 0.90 SIK1 (0.55) LCKSRCKDRMAPK14SIK1
SCHEMBL4487836 0.89 LCK (0.48) LCKSRCKDRMAPK14SIK1
SCHEMBL4501597 0.89 LCK (0.46) LCKSRCKDRMAPK14SIK1
SCHEMBL4489722 0.88 LCK (0.53) LCKSRCKDRMAPK14SIK1
SCHEMBL4495410 0.88 LCK (0.46) LCKSRCKDRMAPK14SIK1
SCHEMBL4495405 0.88 LCK (0.46) LCKSRCKDRMAPK14SIK1
SCHEMBL4483801 0.88 LCK (0.49) LCKSRCKDRMAPK14SIK1

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 LCK 33/4885SRC 2472/4885KDR 3785/4885

“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.