SCHEMBL4499699

SCHEMBL4499699

COc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)ncc2C(=O)Nc2c(Cl)cccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.56
LCK P06239 4/20 0.54
EGFR P00533 4/20 0.52
JAK3 P52333 2/20 0.52
DAPK1 P53355 2/20 0.52
JAK2 O60674 1/20 0.52
BLK P51451 1/20 0.52
BMX P51813 1/20 0.52
BRD4 O60885 1/20 0.49
BTK Q06187 1/20 0.49
TNK2 Q07912 1/20 0.49
SRC P12931 3/20 0.48
SYK P43405 1/20 0.48
CTSC P53634 1/20 0.48
WEE1 P30291 2/20 0.48
KCNH2 Q12809 1/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47

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
SCHEMBL4500180 0.92 LCK (0.53) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4507205 0.92 LCK (0.58) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4503012 0.89 LCK (0.57) LCKJAK3BRD4BTKTNK2
SCHEMBL5686410 0.88 CSF1R (0.54) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4499406 0.88 LCK (0.60) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4500413 0.87 JAK3 (0.58) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4491697 0.86 JAK3 (0.57) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4500492 0.85 LCK (0.60) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4496728 0.84 JAK3 (0.64) CSF1RLCKEGFRJAK3DAPK1
SCHEMBL4488277 0.84 JAK3 (0.60) LCKEGFRJAK3JAK2BLK

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 CSF1R 893/4885LCK 33/4885EGFR 2918/4885

“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.