SCHEMBL2005135

SCHEMBL2005135

CC(C)(C)OC(=O)Nc1cc(Cl)cc(Oc2nc3ccc(F)cc3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
PDPK1 O15530 1/20 0.42
DYRK1A Q13627 1/20 0.42
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.42
LCK P06239 3/20 0.41
CTSD P07339 1/20 0.40
PTPN1 P18031 1/20 0.39
P2RX3 P56373 2/20 0.39
S1PR2 O95136 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL2001470 0.92 DYRK1A (0.44) DYRK1AKMT2ALCKCTSDPTPN1
SCHEMBL1999579 0.90 LCK (0.44) DYRK1AKMT2ALCKCTSDP2RX3
SCHEMBL1999982 0.89 NPC1 (0.45) DYRK1AKMT2ACTSDKDM4EMEN1
SCHEMBL12568203 0.88 CTSD (0.52) EPHX2LCKCTSDMAPTSMN1; SMN2
SCHEMBL18592600 0.88 EPHX2 (0.46) PDPK1DYRK1AKMT2AEPHX2LCK
SCHEMBL1997495 0.86 AGPAT2 (0.45) DYRK1ALCKCTSDP2RX3
SCHEMBL2000055 0.85 NPC1 (0.48) KMT2ALCKKDM4EMEN1GAA
SCHEMBL2002719 0.82 AGPAT2 (0.47) DYRK1ALCKCTSDP2RX3
SCHEMBL18580398 0.82 CTSD (0.49) DYRK1AKMT2AEPHX2LCKCTSD
SCHEMBL2000542 0.81 PPARA (0.44) DYRK1AEPHX2LCKCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 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 (4 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD LRRK2 3716/4885PDPK1 239/4885DYRK1A 3216/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD LRRK2 3716/4885PDPK1 239/4885DYRK1A 3216/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD LRRK2 3716/4885PDPK1 239/4885DYRK1A 3216/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD LRRK2 3250/4885PDPK1 306/4885DYRK1A 3278/4885

“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.