SCHEMBL4559977

SCHEMBL4559977

CCOc1ccccc1Oc1nc(N)nc(-c2ccccc2)c1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.47
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
TNK2 Q07912 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
GCK P35557 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGER4 P35408 1/20 0.39
ACAT1 P24752 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4557970 0.83 TSHR (0.46) TSHRHTTRXFP1SMN1; SMN2MAPT
SCHEMBL4559270 0.82 MEN1 (0.41) TSHRHTTRXFP1LMNAMAPT
SCHEMBL4557824 0.80 TSHR (0.47) TSHRHTTRXFP1SMN1; SMN2ADORA2A
SCHEMBL5689008 0.74 LMNA (0.43) TSHRHTTADORA2AADORA1LMNA
SCHEMBL5686147 0.72 MGMT (0.45) HTTADORA2AADORA1MAPTNPSR1
SCHEMBL10688365 0.69 NLRP3 (0.42) LCKRXFP1SMN1; SMN2LMNAMAPT
SCHEMBL7160571 0.65 MAPT (0.55) SMN1; SMN2MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL4559975 0.65 LCK (0.40) TSHRLCKJAK3BTKTNK2
SCHEMBL5686383 0.64 BTK (0.41) TSHRBTKADORA2AADORA1LMNA
SCHEMBL27824608 0.64 GCK (0.48) TSHRHTTBTKSMN1; SMN2GCK

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 TSHR 291/4885HTT 1801/4885LCK 33/4885

“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.