SCHEMBL4496342

SCHEMBL4496342

COc1cccc(Oc2nc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)ncc2C(=O)Nc2c(Cl)cccc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.51
BTK Q06187 3/20 0.51
KDR P35968 3/20 0.49
LCK P06239 3/20 0.49
SRC P12931 2/20 0.49
MAPK14 Q16539 1/20 0.49
EGFR P00533 10/20 0.48
CSF1R P07333 2/20 0.48
NUAK1 O60285 1/20 0.45
NUAK2 Q9H093 1/20 0.45
ITK Q08881 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
SCHEMBL4490254 0.93 KDR (0.50) JAK3BTKKDRLCKSRC
SCHEMBL4491969 0.92 LCK (0.49) JAK3BTKKDRLCKSRC
SCHEMBL4509912 0.92 LCK (0.55) JAK3BTKKDRLCKSRC
SCHEMBL4497860 0.92 JAK3 (0.52) JAK3BTKKDRLCKSRC
SCHEMBL4495272 0.90 CSF1R (0.53) JAK3BTKKDRLCKSRC
SCHEMBL4487875 0.89 JAK3 (0.48) JAK3BTKKDRLCKSRC
SCHEMBL4492838 0.88 JAK3 (0.54) JAK3BTKLCKSRCEGFR
SCHEMBL4488905 0.88 EGFR (0.48) JAK3BTKKDRLCKSRC
SCHEMBL4496785 0.88 KDR (0.52) JAK3BTKKDRLCKSRC
SCHEMBL4493427 0.87 CSF1R (0.47) JAK3BTKKDRLCKSRC

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 JAK3 900/4885BTK 1420/4885KDR 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.