SCHEMBL4559975

SCHEMBL4559975

CCOc1ccccc1Oc1nc(N)ncc1C(=O)N(c1ccccc1)c1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
TNK2 Q07912 1/20 0.40
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4557969 0.85 KDM4E (0.35) LCKJAK3MAPTMEN1KMT2A
SCHEMBL4559268 0.83 HTT (0.39) POLBALDH1A1MAPTMEN1LMNA
SCHEMBL5689006 0.66 PTPN11 (0.47) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL4559977 0.65 TSHR (0.47) LCKJAK3BTKTNK2POLB
SCHEMBL5686140 0.64 SGMS2 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9789595 0.63 NPSR1 (0.43) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL10995375 0.62 HSP90AA1 (0.65) POLBALDH1A1MAPTMEN1LMNA
Bicarbonate SCHEMBL1973885 0.62 GLA (0.61) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL17438142 0.62 KMT2A (0.51) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL14590443 0.61 HSP90AA1 (0.63) POLBALDH1A1MAPTMEN1LMNA

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 LCK 33/4885JAK3 900/4885BTK 1420/4885

“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.