SCHEMBL4496398

SCHEMBL4496398

Cc1cccc(C)c1-c1nc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)ncc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.54
LCK P06239 4/20 0.53
SRC P12931 4/20 0.53
KDR P35968 3/20 0.53
MAPK14 Q16539 2/20 0.53
BTK Q06187 3/20 0.48
JAK3 P52333 5/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.46
AXL P30530 3/20 0.45
CSF1R P07333 4/20 0.45
INSR P06213 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
TYK2 P29597 1/20 0.44
MAP3K7 O43318 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL4496506 0.94 SRC (0.53) TNK2LCKSRCKDRMAPK14
SCHEMBL5686150 0.92 LCK (0.49) TNK2LCKSRCKDRMAPK14
SCHEMBL5686180 0.92 JAK3 (0.55) TNK2LCKSRCKDRMAPK14
SCHEMBL5689081 0.88 CSF1R (0.50) TNK2LCKSRCKDRMAPK14
SCHEMBL5686341 0.88 LCK (0.48) TNK2LCKSRCKDRMAPK14
SCHEMBL4482145 0.85 EGFR (0.49) JAK3JAK1TYK2
SCHEMBL5689293 0.83 CSF1R (0.55) LCKSRCKDRMAPK14BTK
SCHEMBL4495092 0.81 AXL (0.51) TNK2LCKSRCKDRMAPK14
SCHEMBL4559474 0.80 TNK2 (0.55) TNK2LCKSRCKDRMAPK14
SCHEMBL4507099 0.80 TNK2 (0.54) TNK2LCKSRCKDRMAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TNK2 1854/4885LCK 33/4885SRC 2472/4885

“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.