SCHEMBL4257905

SCHEMBL4257905

O=C(Nc1ccc(-c2nc(-c3cccc(Cl)c3)co2)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.67
MAPT P10636 4/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GPR27 Q9NS67 3/20 0.50
CNR2 P34972 1/20 0.49
CYP2C19 P33261 1/20 0.49
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
AVPR2 P30518 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL4254933 0.92 SMO (0.79) SMOMAPTJAK2JAK1TYK2
SCHEMBL4253028 0.91 SMO (0.81) SMOMAPTMEN1KMT2ACNR2
SCHEMBL4255752 0.87 SMO (0.64) SMOMAPTJAK2JAK1TYK2
SCHEMBL4263804 0.87 SMO (0.74) SMOMAPTMEN1KMT2AKDM4E
SCHEMBL4262096 0.86 SMO (0.66) SMOMAPTJAK2JAK1TYK2
SCHEMBL4254599 0.84 SMO (0.64) SMOMAPTMEN1KMT2ANPC1
SCHEMBL4260779 0.82 SMO (0.64) SMOMAPTJAK2JAK1TYK2
SCHEMBL4255817 0.81 SMO (1.00) SMOMAPTJAK2TYK2MEN1
SCHEMBL12519558 0.80 MEN1 (0.51) SMOMAPTJAK2JAK1TYK2
SCHEMBL4263844 0.79 SMO (0.59) SMOMAPTKMT2ANPC1RAB9A

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-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
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
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 1063/4885MAPT 2622/4885JAK2 431/4885

“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.