SCHEMBL4259343

SCHEMBL4259343

O=C(Nc1ccc(-c2nc(-c3ccccc3Cl)co2)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.63
JAK2 O60674 2/20 0.49
CYP3A4 P08684 2/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL6525339 0.88 SMO (0.80) SMOJAK2TYK2KMT2AMEN1
SCHEMBL4257047 0.88 SMO (0.66) SMOKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4260786 0.84 SMO (0.67) SMOTYK2HPGDNPC1SMN1; SMN2
SCHEMBL4262096 0.83 SMO (0.66) SMOJAK2JAK1TYK2KMT2A
SCHEMBL4263804 0.82 SMO (0.74) SMOKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4257560 0.78 SMO (0.56) SMOJAK2CYP3A4TYK2KMT2A
SCHEMBL4255817 0.77 SMO (1.00) SMOJAK2TYK2KMT2AMEN1
SCHEMBL4253028 0.75 SMO (0.81) SMOKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4254597 0.74 SMO (0.85) SMOJAK2TYK2KMT2AMEN1
SCHEMBL12171980 0.73 NR1H4 (0.50) SMONPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US claimed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US claimed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 WO claimed
US-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 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-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE OXA1L, CYP11B2, CYP3A7 SMO 1063/4885JAK2 431/4885CYP3A4 49/4885

“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.